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2-[3-(3-methoxyphenoxymethyl)piperidine-1-carbonyl]thiophen-3-amine

ChemBase ID: 370145
Molecular Formular: C18H22N2O3S
Molecular Mass: 346.44388
Monoisotopic Mass: 346.13511357
SMILES and InChIs

SMILES:
c1(C(=O)N2CC(COc3cc(OC)ccc3)CCC2)c(ccs1)N
Canonical SMILES:
COc1cccc(c1)OCC1CCCN(C1)C(=O)c1sccc1N
InChI:
InChI=1S/C18H22N2O3S/c1-22-14-5-2-6-15(10-14)23-12-13-4-3-8-20(11-13)18(21)17-16(19)7-9-24-17/h2,5-7,9-10,13H,3-4,8,11-12,19H2,1H3
InChIKey:
KPFBFCXIONREEP-UHFFFAOYSA-N

Cite this record

CBID:370145 http://www.chembase.cn/molecule-370145.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[3-(3-methoxyphenoxymethyl)piperidine-1-carbonyl]thiophen-3-amine
IUPAC Traditional name
2-[3-(3-methoxyphenoxymethyl)piperidine-1-carbonyl]thiophen-3-amine
Synonyms
2-({3-[(3-methoxyphenoxy)methyl]-1-piperidinyl}carbonyl)-3-thiophenamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.0018911  LogD (pH = 7.4) 3.0018911 
Log P 3.0018911  Molar Refractivity 95.6867 cm3
Polarizability 36.079113 Å3 Polar Surface Area 64.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.84  LOG S -4.15 
Polar Surface Area 64.79 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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