N-[4-(2-fluorophenoxy)phenyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide

• ChemBase ID: 401886
• Molecular Formular: C24H22FN3O3
• Molecular Mass: 419.4481832
• Monoisotopic Mass: 419.1645198
• SMILES: N1(C(=O)c2cnccc2)C(C(=O)Nc2ccc(Oc3c(F)cccc3)cc2)CCCC1
• Canonical SMILES: O=C(C1CCCCN1C(=O)c1cccnc1)Nc1ccc(cc1)Oc1ccccc1F
• InChI: InChI=1S/C24H22FN3O3/c25-20-7-1-2-9-22(20)31-19-12-10-18(11-13-19)27-23(29)21-8-3-4-15-28(21)24(30)17-6-5-14-26-16-17/h1-2,5-7,9-14,16,21H,3-4,8,15H2,(H,27,29)
• InChIKey: CSXHNQAFWMKENU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(2-fluorophenoxy)phenyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
• IUPAC Traditional name: N-[4-(2-fluorophenoxy)phenyl]-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
• Synonyms: N-[4-(2-fluorophenoxy)phenyl]-1-(3-pyridinylcarbonyl)-2-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.644694
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.6662788
• LogD (pH = 7.4): 3.6711004
• Log P: 3.6711626
• Molar Refractivity: 115.4793 cm^3
• Polarizability: 43.373947 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.96
• LOG S: -6.05
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 5