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

• ChemBase编号: 776851
• 分子式: C18H28N4O3
• 平均质量: 348.43992
• 单一同位素质量: 348.21614078
• SMILES: n1c(noc1C)CN(C(=O)C1CCN(C(=O)C2CCCC2)CC1)CC
• Canonical SMILES: CCN(C(=O)C1CCN(CC1)C(=O)C1CCCC1)Cc1noc(n1)C
• InChI: InChI=1S/C18H28N4O3/c1-3-21(12-16-19-13(2)25-20-16)17(23)15-8-10-22(11-9-15)18(24)14-6-4-5-7-14/h14-15H,3-12H2,1-2H3
• InChIKey: HODLUSHSDWUHDY-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• Log P: 1.359802
• 摩尔折射率: 94.7867 cm^3
• 极化性: 35.839527 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
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.3598009
• LogD (pH = 7.4): 1.359802

Provided by Chembridge

• Log P: 0.97
• LOG S: -2.57
• 极化表面积: 79.54 Å^2
• 可自由旋转的化学键: 5
• 质子受体: 5
• 质子供体: 0