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

• ChemBase编号: 255633
• 分子式: C10H17ClN4O2
• 平均质量: 260.72058
• 单一同位素质量: 260.10400348
• SMILES: c1(nc(on1)C)C1(NC(=O)C)CCNCC1.Cl
• Canonical SMILES: CC(=O)NC1(CCNCC1)c1noc(n1)C.Cl
• InChI: InChI=1S/C10H16N4O2.ClH/c1-7(15)13-10(3-5-11-6-4-10)9-12-8(2)16-14-9;/h11H,3-6H2,1-2H3,(H,13,15);1H
• InChIKey: RHNOJFVMEZQRPX-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD09971621
• PubChem SID: 164311543
• PubChem CID: 42953455

理论计算性质

• Acid pKa: 11.978738
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): -4.122674
• LogD (pH = 7.4): -2.8730667
• Log P: -0.8591403
• 摩尔折射率: 58.7389 cm^3
• 极化性: 22.16551 Å^3
• 极化表面积: 80.05 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): -1.827

产品相关信息

• 纯度: 95%