N1,N1,N3-trimethyl-N3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1,3-dicarboxamide

• ChemBase编号: 701787
• 分子式: C15H25N5O3
• 平均质量: 323.3907
• 单一同位素质量: 323.19573969
• SMILES: C(=O)(N1CC(C(=O)N(CCc2nc(on2)C)C)CCC1)N(C)C
• Canonical SMILES: O=C(C1CCCN(C1)C(=O)N(C)C)N(CCc1noc(n1)C)C
• InChI: InChI=1S/C15H25N5O3/c1-11-16-13(17-23-11)7-9-19(4)14(21)12-6-5-8-20(10-12)15(22)18(2)3/h12H,5-10H2,1-4H3
• InChIKey: RGIGAMMVZGRMGH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N1,N1,N3-trimethyl-N3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1,3-dicarboxamide
• IUPAC传统名: N1,N1,N3-trimethyl-N3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1,3-dicarboxamide
• 别名: N~1~,N~1~,N~3~-trimethyl-N~3~-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-piperidinedicarboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.008256116
• LogD (pH = 7.4): -0.008255805
• Log P: -0.008255801
• 摩尔折射率: 86.4524 cm^3
• 极化性: 32.22187 Å^3
• 极化表面积: 82.78 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: -0.37
• LOG S: -2.55
• 极化表面积: 82.78 Å^2
• 可自由旋转的化学键: 4