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

• ChemBase ID: 430594
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: C(=O)(C1CN(CC2CC2)CCC1)Nc1ccc(c2cc(OC)ccc2)cc1
• Canonical SMILES: COc1cccc(c1)c1ccc(cc1)NC(=O)C1CCCN(C1)CC1CC1
• InChI: InChI=1S/C23H28N2O2/c1-27-22-6-2-4-19(14-22)18-9-11-21(12-10-18)24-23(26)20-5-3-13-25(16-20)15-17-7-8-17/h2,4,6,9-12,14,17,20H,3,5,7-8,13,15-16H2,1H3,(H,24,26)
• InChIKey: BCGMXGWYIOWMRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-N-[4-(3-methoxyphenyl)phenyl]piperidine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-N-(3'-methoxy-4-biphenylyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.922863
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.69195306
• LogD (pH = 7.4): 1.791735
• Log P: 4.123621
• Molar Refractivity: 110.0347 cm^3
• Polarizability: 43.520645 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.75
• LOG S: -4.65
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5