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

• ChemBase编号: 621930
• 分子式: C16H24N4O3
• 平均质量: 320.38676
• 单一同位素质量: 320.18484065
• SMILES: n1c(noc1C)CN(C(=O)C1CCN(C(=O)C2CC2)CC1)CC
• Canonical SMILES: CCN(C(=O)C1CCN(CC1)C(=O)C1CC1)Cc1noc(n1)C
• InChI: InChI=1S/C16H24N4O3/c1-3-19(10-14-17-11(2)23-18-14)15(21)13-6-8-20(9-7-13)16(22)12-4-5-12/h12-13H,3-10H2,1-2H3
• InChIKey: WHYMVFQHWPMDJG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclopropanecarbonyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
• IUPAC传统名: 1-cyclopropanecarbonyl-N-ethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-4-carboxamide
• 别名: 1-(cyclopropylcarbonyl)-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): 0.51932305
• LogD (pH = 7.4): 0.5193236
• Log P: 0.5193236
• 摩尔折射率: 85.5847 cm^3
• 极化性: 32.179115 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: -0.15
• LOG S: -2.72
• 极化表面积: 79.54 Å^2
• 可自由旋转的化学键: 5