N-cyclohexyl-4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-methylbenzamide

• ChemBase编号: 685949
• 分子式: C23H32N2O3
• 平均质量: 384.51178
• 单一同位素质量: 384.24129289
• SMILES: C(=O)(N(C1CCCCC1)C)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1ccc(cc1)C(=O)N(C1CCCCC1)C)C1CC1
• InChI: InChI=1S/C23H32N2O3/c1-24(19-5-3-2-4-6-19)22(26)17-9-11-20(12-10-17)28-21-13-15-25(16-14-21)23(27)18-7-8-18/h9-12,18-19,21H,2-8,13-16H2,1H3
• InChIKey: BNYQDMJVXFXJNX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-cyclohexyl-4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-methylbenzamide
• IUPAC传统名: N-cyclohexyl-4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]-N-methylbenzamide
• 别名: N-cyclohexyl-4-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}-N-methylbenzamide

理论计算性质

Provided by Chembridge

• 质子供体: 0
• Log P: 1.87
• LOG S: -4.53
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 5
• 质子受体: 3

JChem

• LogD (pH = 5.5): 2.9463336
• LogD (pH = 7.4): 2.9463341
• Log P: 2.9463341
• 摩尔折射率: 109.5287 cm^3
• 极化性: 42.32357 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true
• 质子受体: 3
• 质子供体: 0