Basic information
- Standard SMILES
CSc1ccc(-n2ccc(OC3CCNCC3)cc2=O)cc1- InChIKey
JKBRXGWIVGNDNU-UHFFFAOYSA-N- Molecular formula
- C17H20N2O2S
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.12454906
Names & identifiers
- Preferred name
- 1-(4-(methylthio)phenyl)-4-(piperidin-4-yloxy)pyridin-2(1H)-one
- IUPAC
- 1-(4-methylsulfanylphenyl)-4-piperidin-4-yloxypyridin-2-one
Names & synonyms
SCHEMBL2337051JKBRXGWIVGNDNU-UHFFFAOYSA-N1-(4-(methylthio)phenyl)-4-(piperidin-4-yloxy)pyridin-2(1H)-one
Database identifiers
- PubChem CID
- 67368708
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 450
Related reactions
4 records
Compound notes
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