N,N-dimethyl-3-[6-methyl-2-(piperidin-4-yl)pyrimidin-4-yl]propanamide

• ChemBase编号: 62790
• 分子式: C15H24N4O
• 平均质量: 276.37726
• 单一同位素质量: 276.19501141
• SMILES: c1(nc(cc(n1)C)CCC(=O)N(C)C)C1CCNCC1
• Canonical SMILES: O=C(N(C)C)CCc1cc(C)nc(n1)C1CCNCC1
• InChI: InChI=1S/C15H24N4O/c1-11-10-13(4-5-14(20)19(2)3)18-15(17-11)12-6-8-16-9-7-12/h10,12,16H,4-9H2,1-3H3
• InChIKey: SWUHQSAIMXQINS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-dimethyl-3-[6-methyl-2-(piperidin-4-yl)pyrimidin-4-yl]propanamide
• IUPAC传统名: N,N-dimethyl-3-[6-methyl-2-(piperidin-4-yl)pyrimidin-4-yl]propanamide
• 别名: N,N-Dimethyl-3-(6-methyl-2-piperidin-4-yl-pyrimidin-4-yl)-propionamide

登记号

• MDL号: MFCD18381618
• PubChem SID: 162028529
• PubChem CID: 66509964

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): -2.8817346
• LogD (pH = 7.4): -1.9810398
• Log P: 0.4469052
• 摩尔折射率: 79.4702 cm^3
• 极化性: 30.644701 Å^3
• 极化表面积: 58.12 Å^2
• 可自由旋转的化学键: 4
• 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