N-cycloheptyl-4-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]benzamide

• ChemBase编号: 755426
• 分子式: C23H32N2O3
• 平均质量: 384.51178
• 单一同位素质量: 384.24129289
• SMILES: C(=O)(N1CCC(CC1)Oc1ccc(C(=O)NC2CCCCCC2)cc1)C1CC1
• Canonical SMILES: O=C(N1CCC(CC1)Oc1ccc(cc1)C(=O)NC1CCCCCC1)C1CC1
• InChI: InChI=1S/C23H32N2O3/c26-22(24-19-5-3-1-2-4-6-19)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,1-8,13-16H2,(H,24,26)
• InChIKey: PLDOKQXGHDEFCS-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Acid pKa: 15.156946
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 3.1672263
• LogD (pH = 7.4): 3.1672268
• Log P: 3.1672268
• 摩尔折射率: 109.233 cm^3
• 极化性: 42.32377 Å^3
• 极化表面积: 58.64 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 2.66
• LOG S: -5.45
• 极化表面积: 58.64 Å^2
• 可自由旋转的化学键: 5