3-(morpholin-4-yl)-1-[4-(2-oxopiperidin-1-yl)phenyl]-1,2,5,6-tetrahydropyridin-2-one

• ChemBase编号: 289935
• 分子式: C20H25N3O3
• 平均质量: 355.4308
• 单一同位素质量: 355.18959168
• SMILES: O=C1C(=CCCN1c1ccc(N2C(=O)CCCC2)cc1)N1CCOCC1
• Canonical SMILES: O=C1C(=CCCN1c1ccc(cc1)N1CCCCC1=O)N1CCOCC1
• InChI: InChI=1S/C20H25N3O3/c24-19-5-1-2-10-22(19)16-6-8-17(9-7-16)23-11-3-4-18(20(23)25)21-12-14-26-15-13-21/h4,6-9H,1-3,5,10-15H2
• InChIKey: SCVWQFDPLBFZAP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(morpholin-4-yl)-1-[4-(2-oxopiperidin-1-yl)phenyl]-1,2,5,6-tetrahydropyridin-2-one
• IUPAC传统名: 3-(morpholin-4-yl)-1-[4-(2-oxopiperidin-1-yl)phenyl]-5,6-dihydropyridin-2-one
• 别名: 3-Morpholino-1-(4-(2-oxopiperidin-1-yl)phenyl)-5,6-dihydropyridin-2(1H)-one; 3-Morpholin-4-yl-1-[4-(2-oxopiperidin-1-yl)phenyl]-5,6-dihydro-1H-pyridin-2-one

登记号

• CAS号: 545445-44-1
• PubChem SID: 180675466
• PubChem CID: 22352226

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.95868874
• LogD (pH = 7.4): 0.9590501
• Log P: 0.9590547
• 摩尔折射率: 100.8704 cm^3
• 极化性: 37.911148 Å^3
• 极化表面积: 53.09 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%; 98%