N-(3-cyclopentylpropyl)-3-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]benzamide

• ChemBase编号: 342466
• 分子式: C24H34N2O3
• 平均质量: 398.53836
• 单一同位素质量: 398.25694296
• SMILES: C(=O)(N1CCC(Oc2cc(C(=O)NCCCC3CCCC3)ccc2)CC1)C1CC1
• Canonical SMILES: O=C(c1cccc(c1)OC1CCN(CC1)C(=O)C1CC1)NCCCC1CCCC1
• InChI: InChI=1S/C24H34N2O3/c27-23(25-14-4-7-18-5-1-2-6-18)20-8-3-9-22(17-20)29-21-12-15-26(16-13-21)24(28)19-10-11-19/h3,8-9,17-19,21H,1-2,4-7,10-16H2,(H,25,27)
• InChIKey: UNSUMKLGNDKJGJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(3-cyclopentylpropyl)-3-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]benzamide
• IUPAC传统名: N-(3-cyclopentylpropyl)-3-[(1-cyclopropanecarbonylpiperidin-4-yl)oxy]benzamide
• 别名: N-(3-cyclopentylpropyl)-3-{[1-(cyclopropylcarbonyl)-4-piperidinyl]oxy}benzamide

理论计算性质

JChem

• Acid pKa: 14.601815
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 3.4042854
• LogD (pH = 7.4): 3.4042857
• Log P: 3.404286
• 摩尔折射率: 114.0408 cm^3
• 极化性: 44.164787 Å^3
• 极化表面积: 58.64 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 3.22
• LOG S: -6.03
• 极化表面积: 58.64 Å^2
• 可自由旋转的化学键: 8