3-(4-benzoylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione

C22H23N3O3 — CID 2833543

IUPAC3-(4-benzoylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(N3CCN(C(=O)c4ccccc4)CC3)C2=O)c1
InChIInChI=1S/C22H23N3O3/c1-16-6-5-9-18(14-16)25-20(26)15-19(22(25)28)23-10-12-24(13-11-23)21(27)17-7-3-2-4-8-17/h2-9,14,19H,10-13,15H2,1H3
InChIKeyXCWGZOSSKFXELL-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.08
Rot. Bonds3

About 3-(4-benzoylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione

3-(4-benzoylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 2833543) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-(4-benzoylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-benzoylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
PubChem CID2833543
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-(4-benzoylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1cccc(N2C(=O)CC(N3CCN(C(=O)c4ccccc4)CC3)C2=O)c1
InChIInChI=1S/C22H23N3O3/c1-16-6-5-9-18(14-16)25-20(26)15-19(22(25)28)23-10-12-24(13-11-23)21(27)17-7-3-2-4-8-17/h2-9,14,19H,10-13,15H2,1H3
InChIKeyXCWGZOSSKFXELL-UHFFFAOYSA-N
XLogP2.08
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzoylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-benzoylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione (CID 2833543) is 3-(4-benzoylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-benzoylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-benzoylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione is Cc1cccc(N2C(=O)CC(N3CCN(C(=O)c4ccccc4)CC3)C2=O)c1.
What is the InChIKey of 3-(4-benzoylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is XCWGZOSSKFXELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-6-5-9-18(14-16)25-20(26)15-19(22(25)28)23-10-12-24(13-11-23)21(27)17-7-3-2-4-8-17/h2-9,14,19H,10-13,15H2,1H3.
What are the key properties of 3-(4-benzoylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione?
3-(4-benzoylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 377.44 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzoylpiperazin-1-yl)-1-(3-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2833543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).