BioLiP

PDB

BioLiP

PDB CCD ID:

46H

Number of entries in BioLiP:

Chemical formula:

C11 H20 N2 O

InChI:

InChI=1S/C11H20N2O/c14-11(10-5-4-6-12-9-10)13-7-2-1-3-8-13/h10,12H,1-9H2/t10-/m0/s1

InChIKey:

OSZRYTYCKGZYLB-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C([C@H]1CCCNC1)N2CCCCC2
OpenEye OEToolkits 1.9.2	C1CCN(CC1)C(=O)C2CCCNC2
OpenEye OEToolkits 1.9.2	C1CCN(CC1)C(=O)[C@H]2CCCNC2
CACTVS 3.385	O=C([CH]1CCCNC1)N2CCCCC2
ACDLabs 12.01	O=C(N1CCCCC1)C2CCCNC2

Name:

(3S)-piperidin-3-yl(piperidin-1-yl)methanone

ZINC:

ZINC000004287438

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).