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

• ChemBase编号: 525862
• 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(Cc2nc(no2)C)CC)CCC1)N(C)C
• Canonical SMILES: CCN(C(=O)C1CCCN(C1)C(=O)N(C)C)Cc1onc(n1)C
• InChI: InChI=1S/C15H25N5O3/c1-5-19(10-13-16-11(2)17-23-13)14(21)12-7-6-8-20(9-12)15(22)18(3)4/h12H,5-10H2,1-4H3
• InChIKey: HFCIMDJGVJCFMH-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.15074757
• LogD (pH = 7.4): 0.15074791
• Log P: 0.15074793
• 摩尔折射率: 86.5016 cm^3
• 极化性: 32.220646 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: -0.01
• LOG S: -2.86
• 极化表面积: 82.78 Å^2
• 可自由旋转的化学键: 4