4-Piperidinol, 1-((2,3-dihydro-2-(4-methoxyphenyl)-6-nitro-3-oxo-1H-isoindol-1-yl)acetyl)-
Basic information
- CAS
103255-65-8- Standard SMILES
COc1ccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2CC(=O)N2CCC(O)CC2)cc1- InChIKey
HAFRVWZKASCWOI-UHFFFAOYSA-N- Molecular formula
- C22H23N3O6
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 425.15868546
Names & identifiers
- Preferred name
- 4-Piperidinol, 1-((2,3-dihydro-2-(4-methoxyphenyl)-6-nitro-3-oxo-1H-isoindol-1-yl)acetyl)-
- IUPAC
- 3-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-5-nitro-3H-isoindol-1-one
Names & synonyms
1-((2,3-Dihydro-2-(4-methoxyphenyl)-6-nitro-3-oxo-1H-isoindol-1-yl)acetyl)-4-piperidinol103255-65-84-Piperidinol, 1-((2,3-dihydro-2-(4-methoxyphenyl)-6-nitro-3-oxo-1H-isoindol-1-yl)acetyl)-RefChem:295685DTXSID709082813-[2-(4-Hydroxypiperidin-1-yl)-2-oxoethyl]-2-(4-methoxyphenyl)-5-nitro-2,3-dihydro-1H-isoindol-1-one
Database identifiers
- CAS
103255-65-8- PubChem CID
- 3025482
- DTXSID
DTXSID70908281
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 681
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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