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N-cyclohexyl-3-(piperidin-3-yl)-N-(pyridin-2-ylmethyl)benzamide

ChemBase ID: 510121
Molecular Formular: C24H31N3O
Molecular Mass: 377.52244
Monoisotopic Mass: 377.24671263
SMILES and InChIs

SMILES:
C(=O)(N(Cc1ncccc1)C1CCCCC1)c1cc(C2CNCCC2)ccc1
Canonical SMILES:
O=C(N(C1CCCCC1)Cc1ccccn1)c1cccc(c1)C1CCCNC1
InChI:
InChI=1S/C24H31N3O/c28-24(20-9-6-8-19(16-20)21-10-7-14-25-17-21)27(23-12-2-1-3-13-23)18-22-11-4-5-15-26-22/h4-6,8-9,11,15-16,21,23,25H,1-3,7,10,12-14,17-18H2
InChIKey:
XXZFEVOYJWULDK-UHFFFAOYSA-N

Cite this record

CBID:510121 http://www.chembase.cn/molecule-510121.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclohexyl-3-(piperidin-3-yl)-N-(pyridin-2-ylmethyl)benzamide
IUPAC Traditional name
N-cyclohexyl-3-(piperidin-3-yl)-N-(pyridin-2-ylmethyl)benzamide
Synonyms
N-cyclohexyl-3-piperidin-3-yl-N-(pyridin-2-ylmethyl)benzamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 0.60811675  LogD (pH = 7.4) 1.3693101 
Log P 3.8418  Molar Refractivity 113.2215 cm3
Polarizability 43.958553 Å3 Polar Surface Area 45.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.11  LOG S -3.31 
Polar Surface Area 45.23 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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