N-cyclohexyl-2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-phenylacetamide

• ChemBase编号: 80283
• 分子式: C26H34N2O2
• 平均质量: 406.56036
• 单一同位素质量: 406.26202834
• SMILES: N(c1ccccc1)(C1CCCCC1)C(=O)CN1CCC(c2c(cccc2)OC)CC1
• Canonical SMILES: COc1ccccc1C1CCN(CC1)CC(=O)N(c1ccccc1)C1CCCCC1
• InChI: InChI=1S/C26H34N2O2/c1-30-25-15-9-8-14-24(25)21-16-18-27(19-17-21)20-26(29)28(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2,4-5,8-11,14-15,21,23H,3,6-7,12-13,16-20H2,1H3
• InChIKey: AAINJIVOPCWXKF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-phenylacetamide
• IUPAC传统名: N-cyclohexyl-2-[4-(2-methoxyphenyl)piperidin-1-yl]-N-phenylacetamide
• 别名: N-cyclohexyl-2-[4-(2-methoxyphenyl)piperidino]-N-phenylacetamide

登记号

• MDL号: MFCD00829593
• PubChem SID: 162067403
• PubChem CID: 2775978

理论计算性质

• Acid pKa: 17.528318
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 2.871449
• LogD (pH = 7.4): 4.5156093
• Log P: 4.879309
• 摩尔折射率: 121.7289 cm^3
• 极化性: 47.59232 Å^3
• 极化表面积: 32.78 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true