1-cyclohexyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-4-carboxamide

• ChemBase编号: 439034
• 分子式: C20H32N4O2
• 平均质量: 360.49368
• 单一同位素质量: 360.25252628
• SMILES: n1c(onc1CN(C(=O)C1CCN(CC1)C1CCCCC1)CC)C1CC1
• Canonical SMILES: CCN(C(=O)C1CCN(CC1)C1CCCCC1)Cc1noc(n1)C1CC1
• InChI: InChI=1S/C20H32N4O2/c1-2-23(14-18-21-19(26-22-18)15-8-9-15)20(25)16-10-12-24(13-11-16)17-6-4-3-5-7-17/h15-17H,2-14H2,1H3
• InChIKey: KNIUIPQDFQYETQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclohexyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-4-carboxamide
• IUPAC传统名: 1-cyclohexyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethylpiperidine-4-carboxamide
• 别名: 1-cyclohexyl-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-4-piperidinecarboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.68146116
• LogD (pH = 7.4): 0.34643996
• Log P: 2.902748
• 摩尔折射率: 102.3277 cm^3
• 极化性: 39.063953 Å^3
• 极化表面积: 62.47 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 2.11
• LOG S: -3.63
• 极化表面积: 62.47 Å^2
• 可自由旋转的化学键: 6