N-benzyl-2-(2-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

• ChemBase ID: 496305
• Molecular Formular: C16H19F3N2O2
• Molecular Mass: 328.3294696
• Monoisotopic Mass: 328.13986252
• SMILES: N1(C(=O)CCCC1)CC(=O)N(CC(F)(F)F)Cc1ccccc1
• Canonical SMILES: O=C(N(CC(F)(F)F)Cc1ccccc1)CN1CCCCC1=O
• InChI: InChI=1S/C16H19F3N2O2/c17-16(18,19)12-21(10-13-6-2-1-3-7-13)15(23)11-20-9-5-4-8-14(20)22/h1-3,6-7H,4-5,8-12H2
• InChIKey: ZLNQYNLIPRDFMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-2-(2-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
• IUPAC Traditional name: N-benzyl-2-(2-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
• Synonyms: N-benzyl-2-(2-oxopiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.34093
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8865976
• LogD (pH = 7.4): 1.8865976
• Log P: 1.8865976
• Molar Refractivity: 79.5185 cm^3
• Polarizability: 29.743301 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.72
• LOG S: -3.92
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 6