N-(2-benzylphenyl)-3-methoxypiperidine-1-carboxamide

• ChemBase ID: 568691
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: C(=O)(N1CC(OC)CCC1)Nc1c(Cc2ccccc2)cccc1
• Canonical SMILES: COC1CCCN(C1)C(=O)Nc1ccccc1Cc1ccccc1
• InChI: InChI=1S/C20H24N2O2/c1-24-18-11-7-13-22(15-18)20(23)21-19-12-6-5-10-17(19)14-16-8-3-2-4-9-16/h2-6,8-10,12,18H,7,11,13-15H2,1H3,(H,21,23)
• InChIKey: SFCIKNMDWHSXHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-benzylphenyl)-3-methoxypiperidine-1-carboxamide
• IUPAC Traditional name: N-(2-benzylphenyl)-3-methoxypiperidine-1-carboxamide
• Synonyms: N-(2-benzylphenyl)-3-methoxypiperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.334989
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.8351457
• LogD (pH = 7.4): 3.8351455
• Log P: 3.835146
• Molar Refractivity: 97.383 cm^3
• Polarizability: 36.87613 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.97
• LOG S: -4.1
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4