Basic information
- Standard SMILES
COC(=O)C1C(=O)CCN(Cc2cccnc2)C1=O- InChIKey
DUQPQJXLJZQESA-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4
- Average molar mass
- 262.26 g/mol
Names & identifiers
- Preferred name
- Methyl 1-(3-pyridylmethyl)-2,4-dioxopiperidine-3-carboxylate
- IUPAC
- methyl 2,4-dioxo-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
Names & synonyms
SCHEMBL10751557DUQPQJXLJZQESA-UHFFFAOYSA-Nmethyl 1-(3-pyridylmethyl)-2,4-dioxopiperidine-3-carboxylate
Database identifiers
- PubChem CID
- 20204023
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 383
Related reactions
3 records
Compound notes
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