N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[1-(propan-2-yl)piperidin-4-yl]acetamide

• ChemBase编号: 393744
• 分子式: C19H32N4O2
• 平均质量: 348.48298
• 单一同位素质量: 348.25252628
• SMILES: n1c(onc1CCNC(=O)CC1CCN(CC1)C(C)C)C1CCCC1
• Canonical SMILES: O=C(CC1CCN(CC1)C(C)C)NCCc1noc(n1)C1CCCC1
• InChI: InChI=1S/C19H32N4O2/c1-14(2)23-11-8-15(9-12-23)13-18(24)20-10-7-17-21-19(25-22-17)16-5-3-4-6-16/h14-16H,3-13H2,1-2H3,(H,20,24)
• InChIKey: WAKVTXXTEUVYQK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[1-(propan-2-yl)piperidin-4-yl]acetamide
• IUPAC传统名: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(1-isopropylpiperidin-4-yl)acetamide
• 别名: N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide

理论计算性质

JChem

• Acid pKa: 15.515901
• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -0.8211051
• LogD (pH = 7.4): 0.67619735
• Log P: 2.6039214
• 摩尔折射率: 99.3121 cm^3
• 极化性: 37.94995 Å^3
• 极化表面积: 71.26 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: 2.05
• LOG S: -3.49
• 极化表面积: 71.26 Å^2
• 可自由旋转的化学键: 7