benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate

• ChemBase编号: 113065
• 分子式: C16H22N2O4
• 平均质量: 306.35688
• 单一同位素质量: 306.15795719
• SMILES: C(=O)(N1CCC(C(=O)N(OC)C)CC1)OCc1ccccc1
• Canonical SMILES: CON(C(=O)C1CCN(CC1)C(=O)OCc1ccccc1)C
• InChI: InChI=1S/C16H22N2O4/c1-17(21-2)15(19)14-8-10-18(11-9-14)16(20)22-12-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3
• InChIKey: XVSOLNIURSFPEU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
• IUPAC传统名: benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
• 别名: benzyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate

登记号

• CAS号: 148148-48-5
• PubChem SID: 162097595
• PubChem CID: 22574154

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.6254512
• LogD (pH = 7.4): 1.6254512
• Log P: 1.6254512
• 摩尔折射率: 81.8432 cm^3
• 极化性: 31.84245 Å^3
• 极化表面积: 59.08 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: Oil

产品相关信息

• 纯度: >95%; 98%