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

A1A0V

Summary

Name:	{(3R)-1-[(1s,4S)-4-hydroxycyclohexyl]piperidin-3-yl}(6-methoxynaphthalen-2-yl)methanone
Formula:	C23 H29 N O3
Formal charge:	0
Formula weight:	367.481 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	{(3R)-1-[(1s,4S)-4-hydroxycyclohexyl]piperidin-3-yl}(6-methoxynaphthalen-2-yl)methanone
OpenEye OEToolkits	2.0.7	(6-methoxynaphthalen-2-yl)-[(3~{R})-1-(4-oxidanylcyclohexyl)piperidin-3-yl]methanone

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1ccc2cc(ccc2c1)C(=O)C1CCCN(C1)C1CCC(O)CC1
InChI	InChI	1.06	InChI=1S/C23H29NO3/c1-27-22-11-6-16-13-18(5-4-17(16)14-22)23(26)19-3-2-12-24(15-19)20-7-9-21(25)10-8-20/h4-6,11,13-14,19-21,25H,2-3,7-10,12,15H2,1H3/t19-,20-,21+/m1/s1
InChIKey	InChI	1.06	GSSMSWNJYKSGQN-NJYVYQBISA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ccc2cc(ccc2c1)C(=O)[C@@H]3CCCN(C3)[C@H]4CC[C@@H](O)CC4
SMILES	CACTVS	3.385	COc1ccc2cc(ccc2c1)C(=O)[CH]3CCCN(C3)[CH]4CC[CH](O)CC4
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	COc1ccc2cc(ccc2c1)C(=O)[C@@H]3CCCN(C3)C4CCC(CC4)O
SMILES	OpenEye OEToolkits	2.0.7	COc1ccc2cc(ccc2c1)C(=O)C3CCCN(C3)C4CCC(CC4)O

251801

PDB entries from 2026-04-08

PDB statistics

PDBj update info

Contact PDBj

numon