N-(4-fluoro-2-methylphenyl)-3-[1-(4-methylbenzoyl)piperidin-3-yl]propanamide

• ChemBase ID: 512722
• Molecular Formular: C23H27FN2O2
• Molecular Mass: 382.4710832
• Monoisotopic Mass: 382.20565633
• SMILES: N1(C(=O)c2ccc(cc2)C)CC(CCC(=O)Nc2c(cc(cc2)F)C)CCC1
• Canonical SMILES: O=C(Nc1ccc(cc1C)F)CCC1CCCN(C1)C(=O)c1ccc(cc1)C
• InChI: InChI=1S/C23H27FN2O2/c1-16-5-8-19(9-6-16)23(28)26-13-3-4-18(15-26)7-12-22(27)25-21-11-10-20(24)14-17(21)2/h5-6,8-11,14,18H,3-4,7,12-13,15H2,1-2H3,(H,25,27)
• InChIKey: NNEZNRIDFQGOJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-fluoro-2-methylphenyl)-3-[1-(4-methylbenzoyl)piperidin-3-yl]propanamide
• IUPAC Traditional name: N-(4-fluoro-2-methylphenyl)-3-[1-(4-methylbenzoyl)piperidin-3-yl]propanamide
• Synonyms: N-(4-fluoro-2-methylphenyl)-3-[1-(4-methylbenzoyl)-3-piperidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.6285515
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.6593194
• LogD (pH = 7.4): 4.6593194
• Log P: 4.6593194
• Molar Refractivity: 110.9869 cm^3
• Polarizability: 41.13852 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.54
• LOG S: -6.48
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5