1-cyclobutanecarbonyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide

• ChemBase编号: 823416
• 分子式: C17H26N4O3
• 平均质量: 334.41334
• 单一同位素质量: 334.20049071
• SMILES: n1c(noc1C)CN(C(=O)C1CCN(C(=O)C2CCC2)CC1)CC
• Canonical SMILES: CCN(C(=O)C1CCN(CC1)C(=O)C1CCC1)Cc1noc(n1)C
• InChI: InChI=1S/C17H26N4O3/c1-3-20(11-15-18-12(2)24-19-15)16(22)14-7-9-21(10-8-14)17(23)13-5-4-6-13/h13-14H,3-11H2,1-2H3
• InChIKey: KHTVOBLOYUJSFX-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.939562
• LogD (pH = 7.4): 0.93956274
• Log P: 0.9395628
• 摩尔折射率: 90.1857 cm^3
• 极化性: 34.00857 Å^3
• 极化表面积: 79.54 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: 5
• 质子供体: 0
• Log P: 0.41
• LOG S: -1.99
• 极化表面积: 79.54 Å^2
• 可自由旋转的化学键: 5