piribedil   Click here for help

GtoPdb Ligand ID: 49

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 50.72
Molecular weight 298.14
XLogP 1.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2
Isomeric SMILES c1cnc(nc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
InChI Key OQDPVLVUJFGPGQ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine
International Nonproprietary Names Click here for help
INN number INN
2569 piribedil
Database Links Click here for help
CAS Registry No. 3605-01-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1371770
DrugCentral Ligand 2202
GtoPdb PubChem SID 135650833
PubChem CID 4850
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Wikipedia Piribedil