N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide

• ChemBase ID: 692401
• Molecular Formular: C22H25F3N2O
• Molecular Mass: 390.4419096
• Monoisotopic Mass: 390.19189809
• SMILES: C(=O)(N(C1CN(CCc2ccccc2)CCC1)C)c1ccc(C(F)(F)F)cc1
• Canonical SMILES: CN(C(=O)c1ccc(cc1)C(F)(F)F)C1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C22H25F3N2O/c1-26(21(28)18-9-11-19(12-10-18)22(23,24)25)20-8-5-14-27(16-20)15-13-17-6-3-2-4-7-17/h2-4,6-7,9-12,20H,5,8,13-16H2,1H3
• InChIKey: XDENKGIQLJTPEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide
• IUPAC Traditional name: N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-4-(trifluoromethyl)benzamide
• Synonyms: N-methyl-N-[1-(2-phenylethyl)-3-piperidinyl]-4-(trifluoromethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7651607
• LogD (pH = 7.4): 3.5151587
• Log P: 4.64643
• Molar Refractivity: 105.5014 cm^3
• Polarizability: 39.15914 Å^3
• Polar Surface Area: 23.55 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: 4.8
• LOG S: -5.17
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 5