N,N-dimethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

• ChemBase编号: 380010
• 分子式: C13H22N4O2
• 平均质量: 266.33938
• 单一同位素质量: 266.17427596
• SMILES: n1c(onc1CCC)C1CN(C(=O)N(C)C)CCC1
• Canonical SMILES: CCCc1noc(n1)C1CCCN(C1)C(=O)N(C)C
• InChI: InChI=1S/C13H22N4O2/c1-4-6-11-14-12(19-15-11)10-7-5-8-17(9-10)13(18)16(2)3/h10H,4-9H2,1-3H3
• InChIKey: XJJPWUNACZBNAR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
• IUPAC传统名: N,N-dimethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
• 别名: N,N-dimethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)-1-piperidinecarboxamide

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.6667324
• LogD (pH = 7.4): 1.6667325
• Log P: 1.6667325
• 摩尔折射率: 73.2807 cm^3
• 极化性: 27.279976 Å^3
• 极化表面积: 62.47 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 1.34
• LOG S: -2.29
• 极化表面积: 62.47 Å^2
• 可自由旋转的化学键: 3