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

A1C91

Summary

Name:	[1-(4-fluorophenyl)cyclobutyl][4-(methylamino)piperidin-1-yl]methanone
Formula:	C17 H23 F N2 O
Formal charge:	0
Formula weight:	290.376 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	[1-(4-fluorophenyl)cyclobutyl][4-(methylamino)piperidin-1-yl]methanone
OpenEye OEToolkits	3.1.0.0	[1-(4-fluorophenyl)cyclobutyl]-[4-(methylamino)piperidin-1-yl]methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C(N1CCC(NC)CC1)C1(CCC1)c1ccc(F)cc1
InChI	InChI	1.06	InChI=1S/C17H23FN2O/c1-19-15-7-11-20(12-8-15)16(21)17(9-2-10-17)13-3-5-14(18)6-4-13/h3-6,15,19H,2,7-12H2,1H3
InChIKey	InChI	1.06	UDZIRMDYLQJKET-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC1CCN(CC1)C(=O)C2(CCC2)c3ccc(F)cc3
SMILES	CACTVS	3.385	CNC1CCN(CC1)C(=O)C2(CCC2)c3ccc(F)cc3
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CNC1CCN(CC1)C(=O)C2(CCC2)c3ccc(cc3)F
SMILES	OpenEye OEToolkits	3.1.0.0	CNC1CCN(CC1)C(=O)C2(CCC2)c3ccc(cc3)F

250835

PDB entries from 2026-03-18

PDB statistics

PDBj update info

Contact PDBj

numon