N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methylpyridin-2-yl)methyl]piperidine-3-carboxamide

• ChemBase ID: 611259
• Molecular Formular: C26H29N3O2
• Molecular Mass: 415.52736
• Monoisotopic Mass: 415.22597718
• SMILES: C(=O)(C1CN(Cc2nc(ccc2)C)CCC1)Nc1ccc(c2cc(OC)ccc2)cc1
• Canonical SMILES: COc1cccc(c1)c1ccc(cc1)NC(=O)C1CCCN(C1)Cc1cccc(n1)C
• InChI: InChI=1S/C26H29N3O2/c1-19-6-3-9-24(27-19)18-29-15-5-8-22(17-29)26(30)28-23-13-11-20(12-14-23)21-7-4-10-25(16-21)31-2/h3-4,6-7,9-14,16,22H,5,8,15,17-18H2,1-2H3,(H,28,30)
• InChIKey: CGMHQZKPVGSVDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methylpyridin-2-yl)methyl]piperidine-3-carboxamide
• IUPAC Traditional name: N-[4-(3-methoxyphenyl)phenyl]-1-[(6-methylpyridin-2-yl)methyl]piperidine-3-carboxamide
• Synonyms: N-(3'-methoxy-4-biphenylyl)-1-[(6-methyl-2-pyridinyl)methyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.922804
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7966526
• LogD (pH = 7.4): 3.5244684
• Log P: 4.0626864
• Molar Refractivity: 124.6177 cm^3
• Polarizability: 49.18682 Å^3
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.65
• LOG S: -5.32
• Polar Surface Area: 54.46 Å^2
• Rotatable Bonds: 5