Chembase list of 866358 unique molecular structures

4-(4-methylbenzoyl)piperidine hydrochloride

$$$$ Data

M. F.

C13H18ClNO

Suppliers	Catalog Number
Enamine	EN300-50628

Database	Data ID
PubChem	2740817

M. W.

239.74112

CAS

Similarity

N/A

ID: 261402

2-(piperazine-1-sulfonyl)ethan-1-amine dihydrochloride

$$$$ Data

M. F.

C6H17Cl2N3O2S

Suppliers	Catalog Number
Enamine	EN300-50629

Database	Data ID
PubChem	45791790

M. W.

266.18908

CAS

Similarity

N/A

ID: 261403

2-(oxolan-2-yl)-1H-1,3-benzodiazol-5-amine dihydrochloride

$$$$ Data

M. F.

C11H15Cl2N3O

Suppliers	Catalog Number
Enamine	EN300-50630

Database	Data ID
PubChem	45791791

M. W.

276.1623

CAS

Similarity

N/A

ID: 261404

3-(dimethylsulfamoyl)propanoic acid

$$$$ Data

M. F.

C5H11NO4S

Suppliers	Catalog Number
Enamine	EN300-50631

Database	Data ID
PubChem	28773888

M. W.

181.21014

CAS

Similarity

N/A

ID: 261405

N-(3-aminopropyl)-N-ethylmethanesulfonamide

$$$$ Data

M. F.

C6H16N2O2S

Suppliers	Catalog Number
Enamine	EN300-50634

Database	Data ID
PubChem	23010540

M. W.

180.26844

CAS

Similarity

N/A

ID: 261406

3-(chlorosulfonyl)-2-hydroxy-5-methylbenzoic acid

$$$$ Data

M. F.

C8H7ClO5S

Suppliers	Catalog Number
Enamine	EN300-50635

Database	Data ID
PubChem	16770639

M. W.

250.65618

CAS

Similarity

N/A

ID: 261407

2-chloro-6-methoxyquinoline-7-sulfonyl chloride

$$$$ Data

M. F.

C10H7Cl2NO3S

Suppliers	Catalog Number
Enamine	EN300-50637

Database	Data ID
PubChem	45791792

M. W.

292.13848

CAS

Similarity

N/A

ID: 261408

methyl 4-[(4-methoxypiperidin-1-yl)methyl]benzoate

$$$$ Data

M. F.

C15H21NO3

Suppliers	Catalog Number
Enamine	EN300-50638

Database	Data ID
PubChem	43216551

M. W.

263.33214

CAS

Similarity

N/A

ID: 261409

2-[N-methyl-2-(1H-pyrazol-1-yl)propanamido]acetic acid

$$$$ Data

M. F.

C9H13N3O3

Suppliers	Catalog Number
Enamine	EN300-50639

Database	Data ID
PubChem	43211124

M. W.

211.21782

CAS

Similarity

N/A

ID: 261410

1-(cyclohexylmethyl)-1,4-diazepane

$$$$ Data

M. F.

C12H24N2

Suppliers	Catalog Number
Enamine	EN300-50640

Database	Data ID
PubChem	24702363

M. W.

196.33236

CAS

Similarity

N/A

ID: 261411

2-(furan-2-yl)-1H-1,3-benzodiazol-5-amine dihydrochloride

$$$$ Data

M. F.

C11H11Cl2N3O

Suppliers	Catalog Number
Enamine	EN300-50641

Database	Data ID
PubChem	44828134

M. W.

272.13054

CAS

Similarity

N/A

ID: 261412

2-phenyl-5,6,7,8-tetrahydroquinazolin-6-amine dihydrochloride

$$$$ Data

M. F.

C14H17Cl2N3

Suppliers	Catalog Number
Enamine	EN300-50642

Database	Data ID
PubChem	45791793

M. W.

298.21088

CAS

Similarity

N/A

ID: 261413

benzyl[2-(methylamino)ethyl]amine

$$$$ Data

M. F.

C10H16N2

Suppliers	Catalog Number
Enamine	EN300-50645

Database	Data ID
PubChem	10920861

M. W.

164.24744

CAS

Similarity

N/A

ID: 261414

3-(cyclohexylmethyl)-1H-pyrazol-5-amine

$$$$ Data

M. F.

C10H17N3

Suppliers	Catalog Number
Enamine	EN300-50648

Database	Data ID
PubChem	43115677

M. W.

179.26208

CAS

Similarity

N/A

ID: 261415

2-methanesulfonylethan-1-amine

$$$$ Data

M. F.

C3H9NO2S

Suppliers	Catalog Number
ChemBridge	4030796
Enamine	EN300-50654

Database	Data ID
PubChem	4340561

M. W.

123.17406

CAS

104458-24-4

Similarity

N/A

ID: 261416

5-nitrothiophene-2-sulfonamide

$$$$ Data

M. F.

C4H4N2O4S2

Suppliers	Catalog Number
Enamine	EN300-50658

Database	Data ID
PubChem	4162867

M. W.

208.21556

CAS

Similarity

N/A

ID: 261417

4-(piperazin-1-ylmethyl)benzoic acid dihydrochloride

$$$$ Data

M. F.

C12H18Cl2N2O2

Suppliers	Catalog Number
Enamine	EN300-50661
Bide Pharmatech	BD256918
A&J Pharmtech	AJA-O7018

Database	Data ID
PubChem	45791795

M. W.

293.18952

CAS

86620-70-4

Similarity

N/A

ID: 261418

methyl 8-chloro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate

$$$$ Data

M. F.

C8H6ClN3O2

Suppliers	Catalog Number
Enamine	EN300-50662

Database	Data ID
PubChem	45791796

M. W.

211.60514

CAS

Similarity

N/A

ID: 261419

2-chloro-6-methoxyquinoline-5-sulfonyl chloride

$$$$ Data

M. F.

C10H7Cl2NO3S

Suppliers	Catalog Number
Enamine	EN300-50663

Database	Data ID
PubChem	45791797

M. W.

292.13848

CAS

Similarity

N/A

ID: 261420

5-(piperazine-1-carbonyl)-1H-1,3-benzodiazole hydrochloride

$$$$ Data

M. F.

C12H15ClN4O

Suppliers	Catalog Number
Enamine	EN300-50664

Database	Data ID
PubChem	9838221

M. W.

266.7267

CAS

Similarity

N/A

ID: 261421

4-(4-bromophenyl)oxan-4-amine

$$$$ Data

M. F.

C11H14BrNO

Suppliers	Catalog Number
Enamine	EN300-50665
A&J Pharmtech	AJA-O19255

Database	Data ID
PubChem	43146558

M. W.

256.13896

CAS

Similarity

N/A

ID: 261422

methyl 2-(4-amino-3-methylphenoxy)acetate

$$$$ Data

M. F.

C10H13NO3

Suppliers	Catalog Number
Enamine	EN300-50666

Database	Data ID
PubChem	16772308

M. W.

195.21512

CAS

Similarity

N/A

ID: 261423

1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide

$$$$ Data

M. F.

C13H19N3O

Suppliers	Catalog Number
Enamine	EN300-50667

Database	Data ID
PubChem	43188147

M. W.

233.30946

CAS

Similarity

N/A

ID: 261424

2-hydroxy-4-(5-methyl-1,2-oxazole-4-amido)benzoic acid

$$$$ Data

M. F.

C12H10N2O5

Suppliers	Catalog Number
Enamine	EN300-50668

Database	Data ID
PubChem	16774635

M. W.

262.2182

CAS

Similarity

N/A

ID: 261425

3,3-dicyclopropylprop-2-enoic acid

$$$$ Data

M. F.

C9H12O2

Suppliers	Catalog Number
Enamine	EN300-50669

Database	Data ID
PubChem	28791533

M. W.

152.19038

CAS

Similarity

N/A

ID: 261426

2-[3-(1H-1,2,4-triazol-1-yl)propanamido]propanoic acid

$$$$ Data

M. F.

C8H12N4O3

Suppliers	Catalog Number
Enamine	EN300-50670

Database	Data ID
PubChem	43211066

M. W.

212.20588

CAS

Similarity

N/A

ID: 261427

6-(cyclopropylamino)pyridine-3-carboxylic acid

$$$$ Data

M. F.

C9H10N2O2

Suppliers	Catalog Number
Enamine	EN300-50671

Database	Data ID
PubChem	28400038

M. W.

178.1879

CAS

Similarity

N/A

ID: 261428

4-(2-methylpropoxy)piperidine hydrochloride

$$$$ Data

M. F.

C9H20ClNO

Suppliers	Catalog Number
Enamine	EN300-50672

Database	Data ID
PubChem	11701187

M. W.

193.7142

CAS

Similarity

N/A

ID: 261429

methyl 2-{[4-(aminomethyl)phenyl]formamido}acetate hydrochloride

$$$$ Data

M. F.

C11H15ClN2O3

Suppliers	Catalog Number
Enamine	EN300-50673

Database	Data ID
PubChem	45791798

M. W.

258.7014

CAS

Similarity

N/A

ID: 261430

2-{[2-(morpholin-4-yl)ethyl]amino}ethan-1-ol

$$$$ Data

M. F.

C8H18N2O2

Suppliers	Catalog Number
Enamine	EN300-50674

Database	Data ID
PubChem	18936153

M. W.

174.24072

CAS

Similarity

N/A

ID: 261431

2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetonitrile

$$$$ Data

M. F.

C8H10N2S

Suppliers	Catalog Number
Enamine	EN300-50675

Database	Data ID
PubChem	24695206

M. W.

166.2434

CAS

Similarity

N/A

ID: 261432

4-(piperidin-3-yl)pyrimidine

$$$$ Data

M. F.

C9H13N3

Suppliers	Catalog Number
ChemBridge	4045489
Enamine	EN300-50681

Database	Data ID
PubChem	46737158

M. W.

163.21962

CAS

1185105-86-5

Similarity

N/A

ID: 261433

2-ethyl-4-(piperidin-3-yl)pyrimidine

$$$$ Data

M. F.

C11H17N3

Suppliers	Catalog Number
Enamine	EN300-50682

Database	Data ID
PubChem	47002172

M. W.

191.27278

CAS

Similarity

N/A

ID: 261434

5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carbohydrazide

$$$$ Data

M. F.

C7H11N5O

Suppliers	Catalog Number
Enamine	EN300-50687

Database	Data ID
PubChem	47002141

M. W.

181.19514

CAS

Similarity

N/A

ID: 261435

3-(propan-2-yl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carbohydrazide

$$$$ Data

M. F.

C10H17N5O

Suppliers	Catalog Number
Enamine	EN300-50689

Database	Data ID
PubChem	47002142

M. W.

223.27488

CAS

Similarity

N/A

ID: 261436

2-(1,2,4-oxadiazol-3-yl)piperidine

$$$$ Data

M. F.

C7H11N3O

Suppliers	Catalog Number
Enamine	EN300-50761

Database	Data ID
PubChem	47002143

M. W.

153.18174

CAS

Similarity

N/A

ID: 261437

2-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]piperidine

$$$$ Data

M. F.

C10H17N3O

Suppliers	Catalog Number
Enamine	EN300-50765

Database	Data ID
PubChem	45791799

M. W.

195.26148

CAS

Similarity

N/A

ID: 261438

2-methyl-octahydropyrrolo[3,4-c]pyrrole

$$$$ Data

M. F.

C7H14N2

Suppliers	Catalog Number
Enamine	EN300-50806

Database	Data ID
PubChem	12958533

M. W.

126.19946

CAS

Similarity

N/A

ID: 261439

3-(5-methyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

$$$$ Data

M. F.

C12H13N3O

Suppliers	Catalog Number
Enamine	EN300-50824

Database	Data ID
PubChem	50987768

M. W.

215.25112

CAS

Similarity

N/A

ID: 261440

3-(5-ethyl-1,3,4-oxadiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

$$$$ Data

M. F.

C13H15N3O

Suppliers	Catalog Number
Enamine	EN300-50825

Database	Data ID
PubChem	50987851

M. W.

229.2777

CAS

Similarity

N/A

ID: 261441

N-[3-(1-hydroxyethyl)phenyl]acetamide

$$$$ Data

M. F.

C10H13NO2

Suppliers	Catalog Number
Enamine	EN300-50847

Database	Data ID
PubChem	16769517

M. W.

179.21572

CAS

Similarity

N/A

ID: 261442

(5-amino-2-ethoxyphenyl)methanol

$$$$ Data

M. F.

C9H13NO2

Suppliers	Catalog Number
Enamine	EN300-50853

Database	Data ID
PubChem	43260219

M. W.

167.20502

CAS

Similarity

N/A

ID: 261443

1-acetyl-5-bromo-2,3-dihydro-1H-indole-6-sulfonyl chloride

$$$$ Data

M. F.

C10H9BrClNO3S

Suppliers	Catalog Number
Enamine	EN300-50854

Database	Data ID
PubChem	14024584

M. W.

338.60536

CAS

Similarity

N/A

ID: 261444

5-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazole

$$$$ Data

M. F.

C9H6ClF3N4

Suppliers	Catalog Number
Enamine	EN300-50858

Database	Data ID
PubChem	43134746

M. W.

262.6189496

CAS

Similarity

N/A

ID: 261445

4-chloro-1,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidine

$$$$ Data

M. F.

C7H7ClN4

Suppliers	Catalog Number
ChemBridge	4044684
Enamine	EN300-50866

Database	Data ID
PubChem	24903597

M. W.

182.61028

CAS

5413-96-7

Similarity

N/A

ID: 261446

(2-methoxy-5-nitrophenyl)methanamine

$$$$ Data

M. F.

C8H10N2O3

Suppliers	Catalog Number
Enamine	EN300-50868

Database	Data ID
PubChem	43082644

M. W.

182.1766

CAS

Similarity

N/A

ID: 261447

2-bromo-4-(chloromethyl)-1-fluorobenzene

$$$$ Data

M. F.

C7H5BrClF

Suppliers	Catalog Number
Enamine	EN300-50873

Database	Data ID
PubChem	12922711

M. W.

223.4700032

CAS

Similarity

N/A

ID: 261448

1-(1,4-diazepan-1-yl)propan-1-one

$$$$ Data

M. F.

C8H16N2O

Suppliers	Catalog Number
Enamine	EN300-50874

Database	Data ID
PubChem	16776172

M. W.

156.22544

CAS

Similarity

N/A

ID: 261449

6-chloro-N-(prop-2-en-1-yl)pyridine-3-carboxamide

$$$$ Data

M. F.

C9H9ClN2O

Suppliers	Catalog Number
ChemBridge	9071115
Enamine	EN300-50877

Database	Data ID
PubChem	24708361

M. W.

196.63356

CAS

915921-01-6

Similarity

N/A

ID: 261450

2-(benzylamino)acetonitrile

$$$$ Data

M. F.

C9H10N2

Suppliers	Catalog Number
Enamine	EN300-50878

Database	Data ID
PubChem	242212

M. W.

146.1891

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified