N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide

• ChemBase ID: 821628
• Molecular Formular: C11H19F3N2O
• Molecular Mass: 252.2765696
• Monoisotopic Mass: 252.1449479
• SMILES: C(CCN1CCC(CC(=O)NC)CC1)(F)(F)F
• Canonical SMILES: CNC(=O)CC1CCN(CC1)CCC(F)(F)F
• InChI: InChI=1S/C11H19F3N2O/c1-15-10(17)8-9-2-5-16(6-3-9)7-4-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
• InChIKey: KWLNGZIAMCOEAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide
• IUPAC Traditional name: N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide
• Synonyms: N-methyl-2-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.404347
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6364708
• LogD (pH = 7.4): 0.1435267
• Log P: 0.8800357
• Molar Refractivity: 59.5659 cm^3
• Polarizability: 22.338974 Å^3
• Polar Surface Area: 32.34 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: -0.1
• LOG S: -2.26
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4