Home > Compound List > Compound details
 molecular structure
click picture or here to close

ethyl 1-{5-[(cyclohexylmethyl)carbamoyl]-4-oxo-1-(propan-2-yl)-1,4-dihydropyridine-3-carbonyl}piperidine-4-carboxylate

ChemBase ID: 865128
Molecular Formular: C25H37N3O5
Molecular Mass: 459.57838
Monoisotopic Mass: 459.2733213
SMILES and InChIs

SMILES:
c1(c(=O)c(cn(c1)C(C)C)C(=O)NCC1CCCCC1)C(=O)N1CCC(C(=O)OCC)CC1
Canonical SMILES:
CCOC(=O)C1CCN(CC1)C(=O)c1cn(cc(c1=O)C(=O)NCC1CCCCC1)C(C)C
InChI:
InChI=1S/C25H37N3O5/c1-4-33-25(32)19-10-12-27(13-11-19)24(31)21-16-28(17(2)3)15-20(22(21)29)23(30)26-14-18-8-6-5-7-9-18/h15-19H,4-14H2,1-3H3,(H,26,30)
InChIKey:
GITCIBUBKABMHN-UHFFFAOYSA-N

Cite this record

CBID:865128 http://www.chembase.cn/molecule-865128.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethyl 1-{5-[(cyclohexylmethyl)carbamoyl]-4-oxo-1-(propan-2-yl)-1,4-dihydropyridine-3-carbonyl}piperidine-4-carboxylate
IUPAC Traditional name
ethyl 1-[5-(cyclohexylmethylcarbamoyl)-1-isopropyl-4-oxopyridine-3-carbonyl]piperidine-4-carboxylate
Synonyms
ethyl 1-[(5-{[(cyclohexylmethyl)amino]carbonyl}-1-isopropyl-4-oxo-1,4-dihydro-3-pyridinyl)carbonyl]-4-piperidinecarboxylate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66626607 external link Add to cart
Data Source Data ID Price
ChemBridge
66626607 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.451946  H Acceptors
H Donor LogD (pH = 5.5) 2.3519068 
LogD (pH = 7.4) 2.3519077  Log P 2.3519077 
Molar Refractivity 126.2062 cm3 Polarizability 48.531635 Å3
Polar Surface Area 96.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.09  LOG S -6.6 
Polar Surface Area 97.71 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle