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N-benzyl-3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide

ChemBase ID: 320065
Molecular Formular: C21H28N4O
Molecular Mass: 352.47322
Monoisotopic Mass: 352.22631154
SMILES and InChIs

SMILES:
c1(n(ccn1)CC1CCC1)C1CN(C(=O)NCc2ccccc2)CCC1
Canonical SMILES:
O=C(N1CCCC(C1)c1nccn1CC1CCC1)NCc1ccccc1
InChI:
InChI=1S/C21H28N4O/c26-21(23-14-17-6-2-1-3-7-17)25-12-5-10-19(16-25)20-22-11-13-24(20)15-18-8-4-9-18/h1-3,6-7,11,13,18-19H,4-5,8-10,12,14-16H2,(H,23,26)
InChIKey:
PLAVODNEADVIPA-UHFFFAOYSA-N

Cite this record

CBID:320065 http://www.chembase.cn/molecule-320065.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-benzyl-3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]piperidine-1-carboxamide
IUPAC Traditional name
N-benzyl-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide
Synonyms
N-benzyl-3-[1-(cyclobutylmethyl)-1H-imidazol-2-yl]-1-piperidinecarboxamide

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)
Acid pKa 15.135799  H Acceptors
H Donor LogD (pH = 5.5) 2.2440636 
LogD (pH = 7.4) 2.8819113  Log P 2.910694 
Molar Refractivity 102.9227 cm3 Polarizability 39.637466 Å3
Polar Surface Area 50.16 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.9  LOG S -4.25 
Polar Surface Area 50.16 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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