Basic information
- Standard SMILES
O=c1ccccn1-c1ccc([N+](=O)[O-])c(OCCN2CCCCC2)c1- InChIKey
CDTXJRYDIVJURB-UHFFFAOYSA-N- Molecular formula
- C18H21N3O4
- Average molar mass
- 343.4 g/mol
- Monoisotopic mass
- 343.15320616
Names & identifiers
- Preferred name
- 1-(4-nitro-3-(2-(piperidin-1-yl)ethoxy)phenyl)pyridin-2(1H)-one
- IUPAC
- 1-[4-nitro-3-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one
Names & synonyms
1-(4-nitro-3-(2-(piperidin-1-yl)ethoxy)phenyl)pyridin-2(1H)-oneSCHEMBL1277580CDTXJRYDIVJURB-UHFFFAOYSA-N955133-22-9DB-215645
Database identifiers
- PubChem CID
- 66974182
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 537
Related reactions
5 records
Compound notes
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