pipamperone   Click here for help

GtoPdb Ligand ID: 92

Synonyms: dipiperone | floropipamide
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 66.64
Molecular weight 375.23
XLogP 1.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N
Isomeric SMILES O=C(c1ccc(cc1)F)CCCN1CCC(CC1)(N1CCCCC1)C(=O)N
InChI InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)
InChI Key AXKPFOAXAHJUAG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide
International Nonproprietary Names Click here for help
INN number INN
1588 pipamperone
Synonyms Click here for help
dipiperone | floropipamide
Database Links Click here for help
BindingDB Ligand 81483
CAS Registry No. 2448-68-2
ChEBI CHEBI:78549
ChEMBL Ligand CHEMBL440294
DrugCentral Ligand 2181
GtoPdb PubChem SID 135650830
PubChem CID 4830
Search Google for chemical match using the InChIKey AXKPFOAXAHJUAG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AXKPFOAXAHJUAG
Search PubMed clinical trials pipamperone
Search PubMed titles pipamperone
Search PubMed titles/abstracts pipamperone
Search UniChem for chemical match using the InChIKey AXKPFOAXAHJUAG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AXKPFOAXAHJUAG
Wikipedia Pipamperone