3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione

C28H27N3O2 — CID 110561095

IUPAC3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione
SMILESCc1cccc(N2CCN(C3=C(c4ccccc4)C(=O)N(c4ccccc4)C3=O)CC2)c1C
InChIInChI=1S/C28H27N3O2/c1-20-10-9-15-24(21(20)2)29-16-18-30(19-17-29)26-25(22-11-5-3-6-12-22)27(32)31(28(26)33)23-13-7-4-8-14-23/h3-15H,16-19H2,1-2H3
InChIKeyGIEKWULWPPXWJD-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.41
Rot. Bonds4

About 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione

3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione (PubChem CID 110561095) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione
PubChem CID110561095
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC Name3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione
SMILESCc1cccc(N2CCN(C3=C(c4ccccc4)C(=O)N(c4ccccc4)C3=O)CC2)c1C
InChIInChI=1S/C28H27N3O2/c1-20-10-9-15-24(21(20)2)29-16-18-30(19-17-29)26-25(22-11-5-3-6-12-22)27(32)31(28(26)33)23-13-7-4-8-14-23/h3-15H,16-19H2,1-2H3
InChIKeyGIEKWULWPPXWJD-UHFFFAOYSA-N
XLogP4.41
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(4-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561546
1-(2,3-dimethylphenyl)-3-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110573815
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione
CID 110559937
1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 22728644
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561263
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(3-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110554698
1-(2,4-dimethylphenyl)-3-phenyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110561821
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-methylphenyl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555331
1-(2,3-dimethylphenyl)-3-(4-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110545069
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-phenylcyclobut-3-ene-1,2-dione
CID 22550381
1,3-bis(4-fluorophenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110544646
1-(4-methoxyphenyl)-3-(4-methylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560737

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione?
The IUPAC name of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione (CID 110561095) is 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione.
What is the SMILES notation for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione?
The canonical SMILES for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione is Cc1cccc(N2CCN(C3=C(c4ccccc4)C(=O)N(c4ccccc4)C3=O)CC2)c1C.
What is the InChIKey of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione?
The InChIKey is GIEKWULWPPXWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-20-10-9-15-24(21(20)2)29-16-18-30(19-17-29)26-25(22-11-5-3-6-12-22)27(32)31(28(26)33)23-13-7-4-8-14-23/h3-15H,16-19H2,1-2H3.
What are the key properties of 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione?
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione has a molecular weight of 437.54 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,4-diphenylpyrrole-2,5-dione is sourced from PubChem (CID 110561095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).