Piperazine, 1-(2-pyridyl)-4-((3,4,5-trimethoxybenzoyl)acetyl)-
Basic information
- CAS
23776-34-3- Standard SMILES
COc1cc(C(=O)CC(=O)N2CCN(c3ccccn3)CC2)cc(OC)c1OC- InChIKey
ZFRHXFZTWUXYBY-UHFFFAOYSA-N- Molecular formula
- C21H25N3O5
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 399.17942091
Names & identifiers
- Preferred name
- Piperazine, 1-(2-pyridyl)-4-((3,4,5-trimethoxybenzoyl)acetyl)-
- IUPAC
- 1-(4-pyridin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione
- English name
- 1-(2-Pyridyl)-4-[3-(3,4,5-trimethoxyphenyl)-1,3-dioxopropyl]piperazine
- Molecular formula
- C21H25N3O5
- Molecular weight
- 399.44
Names & synonyms
23776-34-3Piperazine, 1-(2-pyridyl)-4-((3,4,5-trimethoxybenzoyl)acetyl)-1-(2-Pyridyl)-4-((3,4,5-trimethoxybenzoyl)acetyl)-piperazineDTXSID50178460RefChem:372091DTXCID801009511-[4-(pyridin-2-yl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione1-(2-Pyridyl)-4-[3-(3,4,5-trimethoxyphenyl)-1,3-dioxopropyl]piperazine1,3-Propanedione, 1-[4-(2-pyridinyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-
Database identifiers
- CAS
23776-34-3- PubChem CID
- 211963
- DTXSID
DTXSID50178460- Nikkaji
- J77.314J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 538
Physicochemical properties
- Boiling point
- 618.1 · 618.1±55.0 °C(Predicted)
- Density
- 1.228 · 1.228±0.06 g/cm3(Predicted)
- pka
- 14.2 · 14.20±0.20(Predicted)
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Compound notes
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