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

• ChemBase ID: 860255
• Molecular Formular: C24H31FN2O
• Molecular Mass: 382.5141432
• Monoisotopic Mass: 382.24204184
• SMILES: N(c1c(cc(cc1)F)C)C(=O)CCC1CN(CCCc2ccccc2)CCC1
• Canonical SMILES: O=C(Nc1ccc(cc1C)F)CCC1CCCN(C1)CCCc1ccccc1
• InChI: InChI=1S/C24H31FN2O/c1-19-17-22(25)12-13-23(19)26-24(28)14-11-21-10-6-16-27(18-21)15-5-9-20-7-3-2-4-8-20/h2-4,7-8,12-13,17,21H,5-6,9-11,14-16,18H2,1H3,(H,26,28)
• InChIKey: OEPBULLRAAFDIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.628555
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1145766
• LogD (pH = 7.4): 3.3211904
• Log P: 5.522532
• Molar Refractivity: 114.9726 cm^3
• Polarizability: 43.51674 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.92
• LOG S: -6.16
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 8