Basic information
- CAS
58493-17-7- Standard SMILES
CNC(=O)CN1CCN(C(=O)CCc2cc(OC)c(O)c(OC)c2)CC1.O=C(O)C(=O)O- InChIKey
HDDMSBWZPPXWTE-UHFFFAOYSA-N- Molecular formula
- C20H29N3O9
- Average molar mass
- 455.5 g/mol
- Monoisotopic mass
- 455.19037951
Names & identifiers
- Preferred name
- 1-Piperazineacetamide, 4-((3,5-dimethoxy-4-hydroxy)dihydrocinnamoyl)-N-methyl-, oxalate
- IUPAC
- 2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide;oxalic acid
Names & synonyms
58493-17-71-Piperazineacetamide, 4-((3,5-dimethoxy-4-hydroxy)dihydrocinnamoyl)-N-methyl-, oxalate4-((3,5-Dimethoxy-4-hydroxy)dihydrocinnamoyl)-N-methyl-1-piperazineacetamide oxalateDTXSID00207198RefChem:233324DTXCID00129689Oxalic acid--2-{4-[3-(4-hydroxy-3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl}-N-methylacetamide (1/1)
Database identifiers
- CAS
58493-17-7- PubChem CID
- 64896
- DTXSID
DTXSID00207198
Properties
Computed structural properties
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 525
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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