N,N-dimethyl-2-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]acetamide

• ChemBase编号: 508999
• 分子式: C14H24N4O2
• 平均质量: 280.36596
• 单一同位素质量: 280.18992603
• SMILES: c1(oc(nn1)CCC)N1CCC(CC(=O)N(C)C)CC1
• Canonical SMILES: CCCc1nnc(o1)N1CCC(CC1)CC(=O)N(C)C
• InChI: InChI=1S/C14H24N4O2/c1-4-5-12-15-16-14(20-12)18-8-6-11(7-9-18)10-13(19)17(2)3/h11H,4-10H2,1-3H3
• InChIKey: IIDGJMNCVRGKBL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-2-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]acetamide
• IUPAC传统名: N,N-dimethyl-2-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]acetamide
• 别名: N,N-dimethyl-2-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]acetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.9172697
• LogD (pH = 7.4): 0.9172703
• Log P: 0.9172703
• 摩尔折射率: 79.1267 cm^3
• 极化性: 29.115158 Å^3
• 极化表面积: 62.47 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: 4
• 质子供体: 0
• Log P: 0.18
• LOG S: -2.71
• 极化表面积: 62.47 Å^2
• 可自由旋转的化学键: 5