结构:CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(I)cc2)CC1
HCID44157877

Tert-butyl 4-(4-iodobenzoyl)piperazine-1-carboxylate

C16H21IN2O3416.25 g/mol

IDENTITY

结构与身份

标准 SMILES
CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(I)cc2)CC1
InChIKey
OSMPKQSUSRZULQ-UHFFFAOYSA-N
分子式
C16H21IN2O3
平均分子量
416.25 g/mol
单同位素质量
416.05969

COMPUTED

结构计算性质

已同步
XLogP
2.7
极性表面积
49.9 Ų
氢键供体
0
氢键受体
3
可旋转键
3
重原子
22
形式电荷
0
复杂度
406

ALIASES

名称与别名

17
1049022-58-3tert-butyl 4-(4-iodobenzoyl)piperazine-1-carboxylatetert-Butyl 4-[(4-iodophenyl)carbonyl]piperazine-1-carboxylatetert-Butyl 4-(4-iodophenyl)carbonylpiperazine-1-carboxylateSCHEMBL2365799OSMPKQSUSRZULQ-UHFFFAOYSA-NMFCD14635743AKOS006689786BS-29993DB-3736611-Boc-4-[(4-iodophenyl)carbonyl]piperazineCS-0211513A1-33409tert-butyl4-(4-iodobenzoyl)piperazine-1-carboxylatetert-butyl 4-(4-iodo-benzoyl)-piperazine-1-carboxylate1,1-Dimethylethyl 4-(4-iodobenzoyl)-1-piperazinecarboxylate4-(4-iodobenzoyl)piperazine-1-carboxylic acid tert-butyl ester

REACTIONS

参与反应

4
HRID1560823

Training data from https://doi.org/10.1039/C8SC04228D (1/10)

作为反应物
HRID 1560823 方程式

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID2316964

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

作为生成物
HRID 2316964 方程式

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

查看条件与参与物