1-cyclopentyl-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide

• ChemBase ID: 512791
• Molecular Formular: C24H30N2O2
• Molecular Mass: 378.5072
• Monoisotopic Mass: 378.23072821
• SMILES: C(=O)(C1CN(C2CCCC2)CCC1)Nc1ccc(c2cc(OC)ccc2)cc1
• Canonical SMILES: COc1cccc(c1)c1ccc(cc1)NC(=O)C1CCCN(C1)C1CCCC1
• InChI: InChI=1S/C24H30N2O2/c1-28-23-10-4-6-19(16-23)18-11-13-21(14-12-18)25-24(27)20-7-5-15-26(17-20)22-8-2-3-9-22/h4,6,10-14,16,20,22H,2-3,5,7-9,15,17H2,1H3,(H,25,27)
• InChIKey: WIZHQKXVUXHZEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-(3'-methoxybiphenyl-4-yl)piperidine-3-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 1
• Log P: 4.44
• LOG S: -5.75
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3

JChem

• LogD (pH = 5.5): 1.2348882
• LogD (pH = 7.4): 2.1182244
• Log P: 4.6977453
• Molar Refractivity: 114.5059 cm^3
• Polarizability: 45.367023 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.922899
• H Acceptors: 3
• H Donor: 1