2-oxo-N-(propan-2-yl)-2-(3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidin-1-yl)acetamide

• ChemBase ID: 516257
• Molecular Formular: C19H25F3N2O2
• Molecular Mass: 370.4092096
• Monoisotopic Mass: 370.18681271
• SMILES: C(=O)(N1CC(CCc2c(C(F)(F)F)cccc2)CCC1)C(=O)NC(C)C
• Canonical SMILES: CC(NC(=O)C(=O)N1CCCC(C1)CCc1ccccc1C(F)(F)F)C
• InChI: InChI=1S/C19H25F3N2O2/c1-13(2)23-17(25)18(26)24-11-5-6-14(12-24)9-10-15-7-3-4-8-16(15)19(20,21)22/h3-4,7-8,13-14H,5-6,9-12H2,1-2H3,(H,23,25)
• InChIKey: INGHLQYVBKQLRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-oxo-N-(propan-2-yl)-2-(3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidin-1-yl)acetamide
• IUPAC Traditional name: N-isopropyl-2-oxo-2-(3-{2-[2-(trifluoromethyl)phenyl]ethyl}piperidin-1-yl)acetamide
• Synonyms: N-isopropyl-2-oxo-2-(3-{2-[2-(trifluoromethyl)phenyl]ethyl}-1-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.353643
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.682903
• LogD (pH = 7.4): 3.6828988
• Log P: 3.682903
• Molar Refractivity: 93.8248 cm^3
• Polarizability: 35.112442 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.36
• LOG S: -4.77
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6