BioLiP

PDB

BioLiP

PDB CCD ID:

A1I3U

Number of entries in BioLiP:

Chemical formula:

C8 H14 N2 O2

InChI:

InChI=1S/C8H14N2O2/c1-6(11)10-4-2-7(3-5-10)8(9)12/h7H,2-5H2,1H3,(H2,9,12)

InChIKey:

NWZYRRPOEASODK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)N1CCC(CC1)C(N)=O
OpenEye OEToolkits 2.0.7	CC(=O)N1CCC(CC1)C(=O)N

Name:

1-ethanoylpiperidine-4-carboxamide

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).