HCID104610

Ethyl 4-(5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinecarboxylate

ethyl 4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate

C15H18ClN3O3323.77 g/molCAS 53786-46-2

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IDENTITY

结构与身份

标准SMILES: CCOC(=O)N1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1
InChIKey: BEBFRFMLVIJOSE-UHFFFAOYSA-N
分子式: C15H18ClN3O3
平均分子量: 323.77 g/mol
单同位素质量: 323.1036691

COMPUTED

结构计算性质

已同步

XLogP: 2.2
极性表面积: 61.9 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 3
重原子: 22
形式电荷: 0
复杂度: 440

ALIASES

名称与别名

共 27 条

Ethyl 4-(5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)piperidine-1-carboxylateDTXSID40577664XBR56FU4REthyl 4-(5-chloro-2,3-dihydro-2-oxo-1h-benzimidazol-2-yl)piperidine-1-carboxylateDTXCID50315551-Piperidinecarboxylic acid, 4-(5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-, ethyl esterEthyl 4-(5-chloro-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinecarboxylateRefChem:13873653786-46-2ethyl 4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylateethyl 4-(5-chloro-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)piperidine-1-carboxylateEthyl 4-(5-chloro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidine-1-carboxylateEINECS 258-776-3UNII-4XBR56FU4RCHEMBL3188658SCHEMBL11027575Tox21_113868MFCD02093841AKOS015968635NCGC00253753-01

REACTIONS

参与反应

6 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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uspto-grants-1976_11 · 10.6084/m9.figshare.5104873.v1 · US03989707

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uspto-grants-1976_11 · 10.6084/m9.figshare.5104873.v1 · US03989707

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uspto-grants-1984_09 · 10.6084/m9.figshare.5104873.v1 · US04470989

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uspto-grants-1984_09 · 10.6084/m9.figshare.5104873.v1 · US04470989

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