N-(2-fluorophenyl)-3-[1-(6-methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidin-3-yl]propanamide

• ChemBase ID: 344675
• Molecular Formular: C21H24FN3O3
• Molecular Mass: 385.4319632
• Monoisotopic Mass: 385.18016986
• SMILES: c1(C(=O)N2CC(CCC(=O)Nc3c(F)cccc3)CCC2)cc(=O)[nH]c(c1)C
• Canonical SMILES: O=C(Nc1ccccc1F)CCC1CCCN(C1)C(=O)c1cc(C)[nH]c(=O)c1
• InChI: InChI=1S/C21H24FN3O3/c1-14-11-16(12-20(27)23-14)21(28)25-10-4-5-15(13-25)8-9-19(26)24-18-7-3-2-6-17(18)22/h2-3,6-7,11-12,15H,4-5,8-10,13H2,1H3,(H,23,27)(H,24,26)
• InChIKey: FWYUFYJTZVFJAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-3-[1-(6-methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-(2-fluorophenyl)-3-[1-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)piperidin-3-yl]propanamide
• Synonyms: N-(2-fluorophenyl)-3-{1-[(6-methyl-2-oxo-1,2-dihydropyridin-4-yl)carbonyl]piperidin-3-yl}propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.926177
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.655633
• LogD (pH = 7.4): 1.655521
• Log P: 1.6556363
• Molar Refractivity: 107.4539 cm^3
• Polarizability: 39.324078 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.93
• LOG S: -2.8
• Polar Surface Area: 82.27 Å^2
• Rotatable Bonds: 5