1-(4-Ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
Basic information
- CAS
21621-53-4- Standard SMILES
CCOc1ccc(N2C(=O)CC(N3CCN(c4ccccc4OC)CC3)C2=O)cc1- InChIKey
IVTQBWBBHGTGCZ-UHFFFAOYSA-N- Molecular formula
- C23H27N3O4
- Average molar mass
- 409.5 g/mol
Names & identifiers
- Preferred name
- 1-(4-Ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
- IUPAC
- 1-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
- English name
- 1-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
- Molecular formula
- C23H27N3O4
- Molecular weight
- 409.48
Names & synonyms
1-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione21621-53-41-(4-ethoxyphenyl)-3-(4-(2-methoxyphenyl)piperazin-1-yl)pyrrolidine-2,5-dioneCBDivE_010425MLS001209840CHEMBL1577669HMS2839J24HMS3429C14STK142564AKOS000583767AKOS021665395SMR000513611
Show more names
2,5-Pyrrolidinedione, 1-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]-
ST50224668AG-205/08714029SR-01000500823SR-01000500823-11-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazinyl]azolidine-2,5-dione1-(4-Ethoxy-phenyl)-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-pyrrolidine-2,5-dione1-(4-Ethoxyphenyl)-3-[4-(2-methoxyphenyl)-1-piperazinyl]-2,5-pyrrolidinedione
Database identifiers
- CAS
21621-53-4- ChEMBL
CHEMBL1577669
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 599
Physicochemical properties
- Boiling point
- 645.7 · 645.7±55.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- pka
- 6.49 · 6.49±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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