N-methyl-2-[(4-methylpiperidin-4-yl)formamido]acetamide hydrochloride

• ChemBase编号: 62400
• 分子式: C10H20ClN3O2
• 平均质量: 249.7377
• 单一同位素质量: 249.12440458
• SMILES: C(=O)(C1(CCNCC1)C)NCC(=O)NC.Cl
• Canonical SMILES: CNC(=O)CNC(=O)C1(C)CCNCC1.Cl
• InChI: InChI=1S/C10H19N3O2.ClH/c1-10(3-5-12-6-4-10)9(15)13-7-8(14)11-2;/h12H,3-7H2,1-2H3,(H,11,14)(H,13,15);1H
• InChIKey: KZLCLNOWBPSJDK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-methyl-2-[(4-methylpiperidin-4-yl)formamido]acetamide hydrochloride
• IUPAC传统名: N-methyl-2-[(4-methylpiperidin-4-yl)formamido]acetamide hydrochloride
• 别名: 4-Methyl-piperidine-4-carboxylic acid methylcarbamoylmethyl-amide hydrochloride

登记号

• MDL号: MFCD21605967
• PubChem SID: 162028139
• PubChem CID: 71298715

理论计算性质

• Acid pKa: 13.217274
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -4.477218
• LogD (pH = 7.4): -3.8725734
• Log P: -1.2523034
• 摩尔折射率: 57.0987 cm^3
• 极化性: 22.389013 Å^3
• 极化表面积: 70.23 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false