N-[3-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide

• ChemBase ID: 551036
• Molecular Formular: C24H24FN3O
• Molecular Mass: 389.4652632
• Monoisotopic Mass: 389.19034062
• SMILES: C(=O)(Nc1cc(c2cc(F)ccc2)ccc1)C1CCN(Cc2cnccc2)CC1
• Canonical SMILES: Fc1cccc(c1)c1cccc(c1)NC(=O)C1CCN(CC1)Cc1cccnc1
• InChI: InChI=1S/C24H24FN3O/c25-22-7-1-5-20(14-22)21-6-2-8-23(15-21)27-24(29)19-9-12-28(13-10-19)17-18-4-3-11-26-16-18/h1-8,11,14-16,19H,9-10,12-13,17H2,(H,27,29)
• InChIKey: IAEKUOAMPIWAPU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
• IUPAC Traditional name: N-[3-(3-fluorophenyl)phenyl]-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
• Synonyms: N-(3'-fluoro-3-biphenylyl)-1-(3-pyridinylmethyl)-4-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.884968
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2918035
• LogD (pH = 7.4): 3.0646043
• Log P: 3.99431
• Molar Refractivity: 114.4556 cm^3
• Polarizability: 44.518856 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: 3.59
• LOG S: -5.09
• Polar Surface Area: 45.23 Å^2
• Rotatable Bonds: 5