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N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopent-1-ene-1-carboxamide

ChemBase ID: 420073
Molecular Formular: C20H28N2O
Molecular Mass: 312.44912
Monoisotopic Mass: 312.22016353
SMILES and InChIs

SMILES:
C(=O)(N(C1CN(CCc2ccccc2)CCC1)C)C1=CCCC1
Canonical SMILES:
CN(C(=O)C1=CCCC1)C1CCCN(C1)CCc1ccccc1
InChI:
InChI=1S/C20H28N2O/c1-21(20(23)18-10-5-6-11-18)19-12-7-14-22(16-19)15-13-17-8-3-2-4-9-17/h2-4,8-10,19H,5-7,11-16H2,1H3
InChIKey:
GKCUBNAHIHSCHZ-UHFFFAOYSA-N

Cite this record

CBID:420073 http://www.chembase.cn/molecule-420073.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopent-1-ene-1-carboxamide
IUPAC Traditional name
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopent-1-ene-1-carboxamide
Synonyms
N-methyl-N-[1-(2-phenylethyl)-3-piperidinyl]-1-cyclopentene-1-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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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) 0.44951326  LogD (pH = 7.4) 2.170739 
Log P 3.4337285  Molar Refractivity 96.3343 cm3
Polarizability 37.094555 Å3 Polar Surface Area 23.55 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.13  LOG S -3.47 
Polar Surface Area 23.55 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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