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Summary Geometry Related PDB entries

VG2

Summary

Name:	4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
Formula:	C22 H28 Cl N3 O2
Formal charge:	0
Formula weight:	401.93 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-ylphenyl)-3,5-dimethylbenzamide
OpenEye OEToolkits	1.5.0	4-(2-aminoethoxy)-N-(3-chloro-5-piperidin-1-yl-phenyl)-3,5-dimethyl-benzamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1cc(c(OCCN)c(c1)C)C)Nc2cc(cc(Cl)c2)N3CCCCC3
SMILES_CANONICAL	CACTVS	3.341	Cc1cc(cc(C)c1OCCN)C(=O)Nc2cc(Cl)cc(c2)N3CCCCC3
SMILES	CACTVS	3.341	Cc1cc(cc(C)c1OCCN)C(=O)Nc2cc(Cl)cc(c2)N3CCCCC3
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	Cc1cc(cc(c1OCCN)C)C(=O)Nc2cc(cc(c2)Cl)N3CCCCC3
SMILES	OpenEye OEToolkits	1.5.0	Cc1cc(cc(c1OCCN)C)C(=O)Nc2cc(cc(c2)Cl)N3CCCCC3
InChI	InChI	1.03	InChI=1S/C22H28ClN3O2/c1-15-10-17(11-16(2)21(15)28-9-6-24)22(27)25-19-12-18(23)13-20(14-19)26-7-4-3-5-8-26/h10-14H,3-9,24H2,1-2H3,(H,25,27)
InChIKey	InChI	1.03	JDYIYIRPQKMWMM-UHFFFAOYSA-N

246704

PDB entries from 2025-12-24

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