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Summary Geometry Related PDB entries

63R

Summary

Name:	N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide
Formula:	C24 H29 N3 O3
Formal charge:	0
Formula weight:	407.505 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-{(3R)-1-[4-(morpholin-4-yl)benzene-1-carbonyl]piperidin-3-yl}-N-phenylacetamide
OpenEye OEToolkits	2.0.7	~{N}-[(3~{R})-1-(4-morpholin-4-ylphenyl)carbonylpiperidin-3-yl]-~{N}-phenyl-ethanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C4N(C(=O)c1ccc(cc1)N2CCOCC2)CC(N(C(C)=O)c3ccccc3)CC4
InChI	InChI	1.03	InChI=1S/C24H29N3O3/c1-19(28)27(22-6-3-2-4-7-22)23-8-5-13-26(18-23)24(29)20-9-11-21(12-10-20)25-14-16-30-17-15-25/h2-4,6-7,9-12,23H,5,8,13-18H2,1H3/t23-/m1/s1
InChIKey	InChI	1.03	ZPBAECMYHZRSTO-HSZRJFAPSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)N([C@@H]1CCCN(C1)C(=O)c2ccc(cc2)N3CCOCC3)c4ccccc4
SMILES	CACTVS	3.385	CC(=O)N([CH]1CCCN(C1)C(=O)c2ccc(cc2)N3CCOCC3)c4ccccc4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=O)N(c1ccccc1)[C@@H]2CCCN(C2)C(=O)c3ccc(cc3)N4CCOCC4
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)N(c1ccccc1)C2CCCN(C2)C(=O)c3ccc(cc3)N4CCOCC4

223532

PDB entries from 2024-08-07

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