[3H]N-methylspiperone   

GtoPdb Ligand ID: 196

Synonyms: [3H]methylspiperone
   
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 43.86
Molecular weight 409.22
XLogP 3.78
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(C2=O)C)c1ccccc1
Isomeric SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(C2=O)C)c1ccccc1
InChI InChI=1S/C24H28FN3O2/c1-26-18-28(21-6-3-2-4-7-21)24(23(26)30)13-16-27(17-14-24)15-5-8-22(29)19-9-11-20(25)12-10-19/h2-4,6-7,9-12H,5,8,13-18H2,1H3
InChI Key QHJLPOSPWKZACG-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
8-[4-(4-fluorophenyl)-4-oxobutyl]-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Synonyms
[3H]methylspiperone
Database Links
ChEMBL Ligand CHEMBL267932
GtoPdb PubChem SID 135651163
PubChem CID 119146
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Wikipedia N-Methylspiperone