Basic information
- Standard SMILES
COC(=O)c1cnc(N2CCCCC2C(=O)OC)c([N+](=O)[O-])c1- InChIKey
GGNIGCRUBUECCC-UHFFFAOYSA-N- Molecular formula
- C14H17N3O6
- Average molar mass
- 323.3 g/mol
- Monoisotopic mass
- 323.11173527
Names & identifiers
- Preferred name
- Methyl 6-(2-(methoxycarbonyl)piperidin-1-yl)-5-nitronicotinate
- IUPAC
- methyl 6-(2-methoxycarbonylpiperidin-1-yl)-5-nitropyridine-3-carboxylate
Names & synonyms
SCHEMBL708077GGNIGCRUBUECCC-UHFFFAOYSA-NMethyl 6-(2-(methoxycarbonyl)piperidin-1-yl)-5-nitronicotinate
Database identifiers
- PubChem CID
- 58324403
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 466
Related reactions
7 records
Compound notes
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