Basic information
- CAS
58493-19-9- Standard SMILES
COc1cc(CCC(=O)N2CCN(CC(=O)N(C)C)CC2)cc(OC)c1O.O=C(O)C(=O)O- InChIKey
XPBWPIZEVBJWJZ-UHFFFAOYSA-N- Molecular formula
- C21H31N3O9
- Average molar mass
- 469.5 g/mol
- Monoisotopic mass
- 469.20602957
Names & identifiers
- Preferred name
- 1-Piperazineacetamide, 4-((3,5-dimethoxy-4-hydroxy)dihydrocinnamoyl)-N,N-dimethyl-, oxalate
- IUPAC
- 2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N,N-dimethylacetamide;oxalic acid
Names & synonyms
58493-19-91-Piperazineacetamide, 4-((3,5-dimethoxy-4-hydroxy)dihydrocinnamoyl)-N,N-dimethyl-, oxalate4-((3,5-Dimethoxy-4-hydroxy)dihydrocinnamoyl)-N,N-dimethyl-1-piperazineacetamide oxalateDTXSID10207200RefChem:233322DTXCID70129691Oxalic acid--2-{4-[3-(4-hydroxy-3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl}-N,N-dimethylacetamide (1/1)
Database identifiers
- CAS
58493-19-9- PubChem CID
- 64900
- DTXSID
DTXSID10207200
Properties
Computed structural properties
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 551
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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