N-{1-[3-(4-fluorophenyl)-3-phenylpropanoyl]piperidin-4-yl}acetamide

• ChemBase ID: 324608
• Molecular Formular: C22H25FN2O2
• Molecular Mass: 368.4445032
• Monoisotopic Mass: 368.19000627
• SMILES: C(=O)(N1CCC(NC(=O)C)CC1)CC(c1ccc(cc1)F)c1ccccc1
• Canonical SMILES: CC(=O)NC1CCN(CC1)C(=O)CC(c1ccc(cc1)F)c1ccccc1
• InChI: InChI=1S/C22H25FN2O2/c1-16(26)24-20-11-13-25(14-12-20)22(27)15-21(17-5-3-2-4-6-17)18-7-9-19(23)10-8-18/h2-10,20-21H,11-15H2,1H3,(H,24,26)
• InChIKey: VABJJDKKRSYODH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[3-(4-fluorophenyl)-3-phenylpropanoyl]piperidin-4-yl}acetamide
• IUPAC Traditional name: N-{1-[3-(4-fluorophenyl)-3-phenylpropanoyl]piperidin-4-yl}acetamide
• Synonyms: N-{1-[3-(4-fluorophenyl)-3-phenylpropanoyl]piperidin-4-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.520088
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2895215
• LogD (pH = 7.4): 2.2895217
• Log P: 2.2895217
• Molar Refractivity: 103.2678 cm^3
• Polarizability: 39.675297 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: 1.26
• LOG S: -2.96
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5