English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

A1I5F

Summary

Name:	1-[(2~{R})-2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethanoyl]piperazin-1-yl]propan-1-one
Formula:	C17 H21 F3 N2 O2
Formal charge:	0
Formula weight:	342.356 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	1-[(2~{R})-2-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethanoyl]piperazin-1-yl]propan-1-one

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C17H21F3N2O2/c1-3-15(23)22-9-8-21(11-12(22)2)16(24)10-13-4-6-14(7-5-13)17(18,19)20/h4-7,12H,3,8-11H2,1-2H3/t12-/m1/s1
InChIKey	InChI	1.06	BIKYEXUTFXMVAZ-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	CCC(=O)N1CCN(C[C@H]1C)C(=O)Cc2ccc(cc2)C(F)(F)F
SMILES	CACTVS	3.385	CCC(=O)N1CCN(C[CH]1C)C(=O)Cc2ccc(cc2)C(F)(F)F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CCC(=O)N1CCN(C[C@H]1C)C(=O)Cc2ccc(cc2)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.7	CCC(=O)N1CCN(CC1C)C(=O)Cc2ccc(cc2)C(F)(F)F

250835

PDB entries from 2026-03-18

PDB statistics

PDBj update info

Contact PDBj

numon