Basic information
- CAS
363591-09-7- Standard SMILES
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCNC1=O- InChIKey
CYFYOBYYOJJASG-UHFFFAOYSA-N- Molecular formula
- C13H15N3O5
- Average molar mass
- 293.27 g/mol
- Monoisotopic mass
- 293.10117059
Names & identifiers
- Preferred name
- N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide
- IUPAC
- N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide
Names & synonyms
N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide363591-09-7Cambridge id 6757724Oprea1_445867MLS001214984CHEMBL1372259DTXSID201332161HMS2861B03STL036449AKOS005640688SMR000543243AB00118374-01
Show more names
AI-981/11920007SR-01000459210SR-01000459210-1N-{5-nitro-2-methoxyphenyl}-2-oxo-3-piperidinecarboxamide
Database identifiers
- CAS
363591-09-7- PubChem CID
- 2913143
- DTXSID
DTXSID201332161- ChEMBL
CHEMBL1372259
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 423
Experimental & physicochemical properties
Solubility19.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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