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

• ChemBase ID: 663710
• Molecular Formular: C25H26FN3O
• Molecular Mass: 403.4918432
• Monoisotopic Mass: 403.20599069
• SMILES: C(=O)(C1CN(Cc2nc(ccc2)C)CCC1)Nc1cc(c2ccc(cc2)F)ccc1
• Canonical SMILES: O=C(C1CCCN(C1)Cc1cccc(n1)C)Nc1cccc(c1)c1ccc(cc1)F
• InChI: InChI=1S/C25H26FN3O/c1-18-5-2-9-24(27-18)17-29-14-4-7-21(16-29)25(30)28-23-8-3-6-20(15-23)19-10-12-22(26)13-11-19/h2-3,5-6,8-13,15,21H,4,7,14,16-17H2,1H3,(H,28,30)
• InChIKey: BSAQGOUITYXYDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.835755
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1026804
• LogD (pH = 7.4): 3.8291152
• Log P: 4.3630595
• Molar Refractivity: 118.3709 cm^3
• Polarizability: 46.284042 Å^3
• Polar Surface Area: 45.23 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: 4.89
• LOG S: -5.83
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5