BioLiP

PDB

BioLiP

PDB CCD ID:

T8S

Number of entries in BioLiP:

Chemical formula:

C12 H22 N2 O2

InChI:

InChI=1S/C12H22N2O2/c1-9(2)13(4)12(16)11-5-7-14(8-6-11)10(3)15/h9,11H,5-8H2,1-4H3

InChIKey:

CELKOAKJTFSHIV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)N(C)C(=O)C1CCN(CC1)C(C)=O
ACDLabs 12.01	N1(CCC(C(N(C(C)C)C)=O)CC1)C(=O)C
OpenEye OEToolkits 2.0.7	CC(C)N(C)C(=O)C1CCN(CC1)C(=O)C

Name:

1-acetyl-N-methyl-N-(propan-2-yl)piperidine-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).