N-benzyl-3-{[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 515866
• Molecular Formular: C24H32N2O2
• Molecular Mass: 380.52308
• Monoisotopic Mass: 380.24637827
• SMILES: C(=O)(NCc1ccccc1)c1cc(OC2CCN(CC(C)(C)C)CC2)ccc1
• Canonical SMILES: O=C(c1cccc(c1)OC1CCN(CC1)CC(C)(C)C)NCc1ccccc1
• InChI: InChI=1S/C24H32N2O2/c1-24(2,3)18-26-14-12-21(13-15-26)28-22-11-7-10-20(16-22)23(27)25-17-19-8-5-4-6-9-19/h4-11,16,21H,12-15,17-18H2,1-3H3,(H,25,27)
• InChIKey: JLFOXJORPGWKNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-{[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-benzyl-3-{[1-(2,2-dimethylpropyl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-benzyl-3-{[1-(2,2-dimethylpropyl)-4-piperidinyl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.574631
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.96112317
• LogD (pH = 7.4): 2.4297936
• Log P: 4.263474
• Molar Refractivity: 114.7023 cm^3
• Polarizability: 44.50269 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.94
• LOG S: -5.18
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7