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Summary Geometry Related PDB entries

A1A0T

Summary

Name:	[(3R)-1-cyclopentylpiperidin-3-yl](6-methoxynaphthalen-2-yl)methanone
Formula:	C22 H27 N O2
Formal charge:	0
Formula weight:	337.455 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	[(3R)-1-cyclopentylpiperidin-3-yl](6-methoxynaphthalen-2-yl)methanone
OpenEye OEToolkits	2.0.7	[(3~{R})-1-cyclopentylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1ccc2cc(ccc2c1)C(=O)C1CCCN(C1)C1CCCC1
InChI	InChI	1.06	InChI=1S/C22H27NO2/c1-25-21-11-10-16-13-18(9-8-17(16)14-21)22(24)19-5-4-12-23(15-19)20-6-2-3-7-20/h8-11,13-14,19-20H,2-7,12,15H2,1H3/t19-/m1/s1
InChIKey	InChI	1.06	JNSVKSRNLAOUJI-LJQANCHMSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2cc(ccc2c1)C(=O)[C@@H]3CCCN(C3)C4CCCC4
SMILES	CACTVS	3.385	COc1ccc2cc(ccc2c1)C(=O)[CH]3CCCN(C3)C4CCCC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccc2cc(ccc2c1)C(=O)[C@@H]3CCCN(C3)C4CCCC4
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc2cc(ccc2c1)C(=O)C3CCCN(C3)C4CCCC4

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