N-benzyl-3-[(1-cyclohexylpiperidin-4-yl)oxy]benzamide

• ChemBase ID: 502096
• Molecular Formular: C25H32N2O2
• Molecular Mass: 392.53378
• Monoisotopic Mass: 392.24637827
• SMILES: N1(CCC(Oc2cc(C(=O)NCc3ccccc3)ccc2)CC1)C1CCCCC1
• Canonical SMILES: O=C(c1cccc(c1)OC1CCN(CC1)C1CCCCC1)NCc1ccccc1
• InChI: InChI=1S/C25H32N2O2/c28-25(26-19-20-8-3-1-4-9-20)21-10-7-13-24(18-21)29-23-14-16-27(17-15-23)22-11-5-2-6-12-22/h1,3-4,7-10,13,18,22-23H,2,5-6,11-12,14-17,19H2,(H,26,28)
• InChIKey: GRAIKBKCLWFYHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-3-[(1-cyclohexylpiperidin-4-yl)oxy]benzamide
• IUPAC Traditional name: N-benzyl-3-[(1-cyclohexylpiperidin-4-yl)oxy]benzamide
• Synonyms: N-benzyl-3-[(1-cyclohexyl-4-piperidinyl)oxy]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.574635
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0173817
• LogD (pH = 7.4): 2.1597962
• Log P: 4.4404407
• Molar Refractivity: 117.5742 cm^3
• Polarizability: 45.612453 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.86
• LOG S: -5.91
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 6