BioLiP

PDB

BioLiP

PDB CCD ID:

8RV

Number of entries in BioLiP:

Chemical formula:

C14 H20 N2 O

InChI:

InChI=1S/C14H20N2O/c1-12(17)15-14-7-9-16(10-8-14)11-13-5-3-2-4-6-13/h2-6,14H,7-11H2,1H3,(H,15,17)

InChIKey:

PXKZVCOKJFOTQY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	N(C(C)=O)C1CCN(CC1)Cc2ccccc2
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(=O)NC1CCN(CC1)Cc2ccccc2

Name:

N-(1-benzylpiperidin-4-yl)acetamide

ZINC:

ZINC000020816470

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).