Basic information
- CAS
58493-20-2- Standard SMILES
COc1cc(CCC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc(OC)c1O.O=C(O)C(=O)O- InChIKey
GXWDFGZVLBLKEE-UHFFFAOYSA-N- Molecular formula
- C23H33N3O9
- Average molar mass
- 495.5 g/mol
- Monoisotopic mass
- 495.22167964
Names & identifiers
- Preferred name
- Piperazine, 1-((3,5-dimethoxy-4-hydroxy)dihydrocinnamoyl)-4-pyrrolidinocarbonylmethyl-, oxalate
- IUPAC
- 3-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one;oxalic acid
Names & synonyms
Piperazine, 1-((3,5-dimethoxy-4-hydroxy)dihydrocinnamoyl)-4-pyrrolidinocarbonylmethyl-, oxalate58493-20-2DTXSID70207201RefChem:371784DTXCID30129692Oxalic acid--3-(4-hydroxy-3,5-dimethoxyphenyl)-1-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}propan-1-one (1/1)
Database identifiers
- CAS
58493-20-2- PubChem CID
- 64902
- DTXSID
DTXSID70207201
Properties
Computed structural properties
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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