1-Piperazineacetamide, 4-((3,5-dimethoxy-4-hydroxy)dihydrocinnamoyl)-N-isopropyl-
Basic information
- CAS
53335-22-1- Standard SMILES
COc1cc(CCC(=O)N2CCN(CC(=O)NC(C)C)CC2)cc(OC)c1O- InChIKey
KANNMOFCMLHVAU-UHFFFAOYSA-N- Molecular formula
- C20H31N3O5
- Average molar mass
- 393.5 g/mol
- Monoisotopic mass
- 393.2263711
Names & identifiers
- Preferred name
- 1-Piperazineacetamide, 4-((3,5-dimethoxy-4-hydroxy)dihydrocinnamoyl)-N-isopropyl-
- IUPAC
- 2-[4-[3-(4-hydroxy-3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl]-N-propan-2-ylacetamide
- English name
- 4-[3-(3,5-Dimethoxy-4-hydroxyphenyl)-1-oxopropyl]-N-isopropyl-1-piperazineacetamide
- Molecular formula
- C20H31N3O5
- Molecular weight
- 393.48
Names & synonyms
BRN 090279253335-22-11-Piperazineacetamide, 4-((3,5-dimethoxy-4-hydroxy)dihydrocinnamoyl)-N-isopropyl-DTXSID302014875-23-02-00269 (Beilstein Handbook Reference)N-Isopropyl ((hydroxy-4 dimethoxy 3-5 dihydrocinnamoyl)-4 piperazino)acetamide [French]N-Isopropyl ((hydroxy-4 dimethoxy 3-5 dihydrocinnamoyl)-4 piperazino)acetamideRefChem:233323DTXCID301239782-{4-[3-(4-hydroxy-3,5-dimethoxyphenyl)propanoyl]piperazin-1-yl}-N-(propan-2-yl)acetamideDB-3248664-[3-(3,5-DIMETHOXY-4-HYDROXYPHENYL)-1-OXOPROPYL ]-N-ISOPROPYL-1-PIPERAZINEACETAMIDE
Show more names
4-[3-(3,5-Dimethoxy-4-hydroxyphenyl)-1-oxopropyl]-N-isopropyl-1-piperazineacetamide1-Piperazineacetamide, 4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxopropyl]-N-(1-methylethyl)-
Database identifiers
- CAS
53335-22-1- PubChem CID
- 64885
- DTXSID
DTXSID30201487- Nikkaji
- J153.470J
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 91.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 494
Physicochemical properties
- Melting point
- 140 °C · 140 °C(Solv: acetone (67-64-1); water (7732-18-5))
- Boiling point
- 632.3 · 632.3±55.0 °C(Predicted)
- Density
- 1.168 · 1.168±0.06 g/cm3(Predicted)
- pka
- 10.1 · 10.10±0.25(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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