3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione

C20H22N4O4 — CID 87048086

IUPAC3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione
SMILESCC(=O)c1ccc(N2CCN(C3CC(=O)N(c4cc(C)on4)C3=O)CC2)cc1
InChIInChI=1S/C20H22N4O4/c1-13-11-18(21-28-13)24-19(26)12-17(20(24)27)23-9-7-22(8-10-23)16-5-3-15(4-6-16)14(2)25/h3-6,11,17H,7-10,12H2,1-2H3
InChIKeyQICQPMZPGFHAGO-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.64
Rot. Bonds4

About 3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione

3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione (PubChem CID 87048086) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione
PubChem CID87048086
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione
SMILESCC(=O)c1ccc(N2CCN(C3CC(=O)N(c4cc(C)on4)C3=O)CC2)cc1
InChIInChI=1S/C20H22N4O4/c1-13-11-18(21-28-13)24-19(26)12-17(20(24)27)23-9-7-22(8-10-23)16-5-3-15(4-6-16)14(2)25/h3-6,11,17H,7-10,12H2,1-2H3
InChIKeyQICQPMZPGFHAGO-UHFFFAOYSA-N
XLogP1.64
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione
CID 99935790
(3S)-1-(5-methyl-1,2-oxazol-3-yl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 125117491
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-oxopiperidin-1-yl)pyrrolidine-2,5-dione
CID 4992663
(3S)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(2,3-dimethylphenyl)pyrrolidine-2,5-dione
CID 99935783
(3R)-1-(4-acetylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 1238469
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione
CID 1256195
(3S)-3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(4-pentoxyphenyl)pyrrolidine-2,5-dione
CID 99935808
(3R)-1-(4-acetylphenyl)-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2484119
[4-[(3S)-2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]phenyl] acetate
CID 1239119
[4-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]phenyl] acetate
CID 4913643
ethyl 4-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoate
CID 2877201
(3R)-3-[4-(4-benzoylphenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 41242699

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione (CID 87048086) is 3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione is CC(=O)c1ccc(N2CCN(C3CC(=O)N(c4cc(C)on4)C3=O)CC2)cc1.
What is the InChIKey of 3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is QICQPMZPGFHAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-13-11-18(21-28-13)24-19(26)12-17(20(24)27)23-9-7-22(8-10-23)16-5-3-15(4-6-16)14(2)25/h3-6,11,17H,7-10,12H2,1-2H3.
What are the key properties of 3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione?
3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 382.42 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-acetylphenyl)piperazin-1-yl]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 87048086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).