8-{3-[4-(3-Methylsulfanyl-phenyl)-piperazin-1-yl]-propoxy}-8-aza-spiro[4.5]decane-7,9-dione

HCID 14280607
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CSc1cccc(N2CCN(CCCON3C(=O)CC4(CCCC4)CC3=O)CC2)c1
InChIKey
DFWFWFKGVBAJEG-UHFFFAOYSA-N
Molecular formula
C23H33N3O3S
Average molar mass
431.6 g/mol
Monoisotopic mass
431.2242631

Names & identifiers

Preferred name
8-{3-[4-(3-Methylsulfanyl-phenyl)-piperazin-1-yl]-propoxy}-8-aza-spiro[4.5]decane-7,9-dione
IUPAC
8-[3-[4-(3-methylsulfanylphenyl)piperazin-1-yl]propoxy]-8-azaspiro[4.5]decane-7,9-dione

Names & synonyms

CHEMBL10963SCHEMBL10518909DFWFWFKGVBAJEG-UHFFFAOYSA-NBDBM500074968-[3-[4-(3-Methylthiophenyl)-1-piperazinyl]propyloxy]-8-azaspiro[4.5]-decan-7,9-dione8-{3-[4-(3-Methylsulfanyl-phenyl)-piperazin-1-yl]-propoxy}-8-aza-spiro[4.5]decane-7,9-dione

Database identifiers

PubChem CID
14280607
ChEMBL
CHEMBL10963
Nikkaji
J386.503G

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
78.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

Loading…