2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

• ChemBase编号: 653269
• 分子式: C17H30N4O2
• 平均质量: 322.4457
• 单一同位素质量: 322.23687622
• SMILES: N1(CC(=O)N(Cc2nc(on2)CCC)CC)[C@@H](CCC[C@@H]1C)C
• Canonical SMILES: CCCc1onc(n1)CN(C(=O)CN1[C@H](C)CCC[C@@H]1C)CC
• InChI: InChI=1S/C17H30N4O2/c1-5-8-16-18-15(19-23-16)11-20(6-2)17(22)12-21-13(3)9-7-10-14(21)4/h13-14H,5-12H2,1-4H3/t13-,14+
• InChIKey: LSDZYFQAWYZCBF-OKILXGFUSA-N

名称和登记号

名称

• IUPAC标准名: 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
• IUPAC传统名: 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
• 别名: 2-[(2R*,6S*)-2,6-dimethylpiperidin-1-yl]-N-ethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide

理论计算性质

Provided by Chembridge

• Log P: 3.03
• LOG S: -4.14
• 极化表面积: 62.47 Å^2
• 可自由旋转的化学键: 7
• 质子受体: 5
• 质子供体: 0

JChem

• 摩尔折射率: 91.8245 cm^3
• 极化性: 34.996696 Å^3
• 极化表面积: 62.47 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true
• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.16889942
• LogD (pH = 7.4): 1.943452
• Log P: 2.6427386