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

• ChemBase ID: 865185
• Molecular Formular: C24H22FN3O3
• Molecular Mass: 419.4481832
• Monoisotopic Mass: 419.1645198
• SMILES: N1(C(=O)c2ncccc2)C(C(=O)Nc2ccc(Oc3c(F)cccc3)cc2)CCCC1
• Canonical SMILES: O=C(C1CCCCN1C(=O)c1ccccn1)Nc1ccc(cc1)Oc1ccccc1F
• InChI: InChI=1S/C24H22FN3O3/c25-19-7-1-2-10-22(19)31-18-13-11-17(12-14-18)27-23(29)21-9-4-6-16-28(21)24(30)20-8-3-5-15-26-20/h1-3,5,7-8,10-15,21H,4,6,9,16H2,(H,27,29)
• InChIKey: GHBHHBGNSWBHNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.644569
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.0569983
• LogD (pH = 7.4): 4.0570126
• Log P: 4.057013
• Molar Refractivity: 115.1073 cm^3
• Polarizability: 43.37884 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: -5.96
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 5