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N-[(1-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-(propan-2-yl)piperidine-3-carboxamide

ChemBase ID: 470762
Molecular Formular: C22H30N4O2
Molecular Mass: 382.4992
Monoisotopic Mass: 382.23687622
SMILES and InChIs

SMILES:
C(=O)(N(Cc1n(ccn1)C)C(C)C)C1CN(C(=O)CC1)CCc1ccccc1
Canonical SMILES:
CC(N(C(=O)C1CCC(=O)N(C1)CCc1ccccc1)Cc1nccn1C)C
InChI:
InChI=1S/C22H30N4O2/c1-17(2)26(16-20-23-12-14-24(20)3)22(28)19-9-10-21(27)25(15-19)13-11-18-7-5-4-6-8-18/h4-8,12,14,17,19H,9-11,13,15-16H2,1-3H3
InChIKey:
VRAOPXIQMSWBFW-UHFFFAOYSA-N

Cite this record

CBID:470762 http://www.chembase.cn/molecule-470762.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(1-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-N-(propan-2-yl)piperidine-3-carboxamide
IUPAC Traditional name
N-isopropyl-N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
Synonyms
N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-6-oxo-1-(2-phenylethyl)-3-piperidinecarboxamide

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) 1.2484792  LogD (pH = 7.4) 1.7793993 
Log P 1.7970599  Molar Refractivity 109.7832 cm3
Polarizability 42.281754 Å3 Polar Surface Area 58.44 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.68  LOG S -2.96 
Polar Surface Area 58.44 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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