(4,4-Difluoropiperidin-1-yl)[5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]methanone

HCID 11603838

基本信息

标准SMILES
CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1
InChIKey
MLIYUVZSBYCPSQ-UHFFFAOYSA-N
分子式
C22H29F2N3O2
平均分子量
405.5 g/mol

名称与标识

首选名称
(4,4-Difluoropiperidin-1-yl)[5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]methanone
IUPAC
(4,4-difluoropiperidin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone

名称与别名

CHEMBL496816(4,4-Difluoropiperidin-1-yl)[5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]methanoneSCHEMBL1375924BDBM50268997(4,4-Difluoro-piperidin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-methanone

数据库标识

PubChem CID
11603838
ChEMBL
CHEMBL496816

性质

结构计算性质

XLogP
4.4
极性表面积
48.6 Ų
氢键供体
1
氢键受体
5
可旋转键
4
重原子
29

相关反应

72 条

关联笔记

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