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BioLiP

PDB CCD ID: T8S
Number of entries in BioLiP: 1
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:
SoftwareSMILES
CACTVS 3.385CC(C)N(C)C(=O)C1CCN(CC1)C(C)=O
ACDLabs 12.01N1(CCC(C(N(C(C)C)C)=O)CC1)C(=O)C
OpenEye OEToolkits 2.0.7CC(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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