N-[2-(3-methoxyphenyl)phenyl]-1-(pyridin-4-yl)piperidine-4-carboxamide

• ChemBase ID: 757746
• Molecular Formular: C24H25N3O2
• Molecular Mass: 387.4742
• Monoisotopic Mass: 387.19467706
• SMILES: C(=O)(Nc1c(c2cc(OC)ccc2)cccc1)C1CCN(c2ccncc2)CC1
• Canonical SMILES: COc1cccc(c1)c1ccccc1NC(=O)C1CCN(CC1)c1ccncc1
• InChI: InChI=1S/C24H25N3O2/c1-29-21-6-4-5-19(17-21)22-7-2-3-8-23(22)26-24(28)18-11-15-27(16-12-18)20-9-13-25-14-10-20/h2-10,13-14,17-18H,11-12,15-16H2,1H3,(H,26,28)
• InChIKey: OBYMIQHHKDVVHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-methoxyphenyl)phenyl]-1-(pyridin-4-yl)piperidine-4-carboxamide
• IUPAC Traditional name: N-[2-(3-methoxyphenyl)phenyl]-1-(pyridin-4-yl)piperidine-4-carboxamide
• Synonyms: N-(3'-methoxybiphenyl-2-yl)-1-pyridin-4-ylpiperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.356525
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8775332
• LogD (pH = 7.4): 3.0197582
• Log P: 3.8605838
• Molar Refractivity: 116.5883 cm^3
• Polarizability: 45.1759 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.83
• LOG S: -4.44
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5