(5R,6S)-6-(3,4-dimethoxyphenyl)-5-nitropiperidin-2-one
Basic information
- CAS
61298-29-1- Standard SMILES
COc1ccc([C@@H]2NC(=O)CC[C@H]2[N+](=O)[O-])cc1OC- InChIKey
QQQDHBUWOFWZEF-RNCFNFMXSA-N- Molecular formula
- C13H16N2O5
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.10592162
Names & identifiers
- Preferred name
- (5R,6S)-6-(3,4-dimethoxyphenyl)-5-nitropiperidin-2-one
- IUPAC
- (5R,6S)-6-(3,4-dimethoxyphenyl)-5-nitropiperidin-2-one
Names & synonyms
AC1LE76N(5R,6S)-6-(3,4-dimethoxyphenyl)-5-nitropiperidin-2-one61298-29-1DTXSID90351710
Database identifiers
- CAS
61298-29-1- PubChem CID
- 707499
- DTXSID
DTXSID90351710
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 93.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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