3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione

C22H25N3O3 — CID 110572131

IUPAC3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCN1CCN(C2=C(c3ccc(C)cc3)C(=O)N(Cc3ccco3)C2=O)CC1
InChIInChI=1S/C22H25N3O3/c1-3-23-10-12-24(13-11-23)20-19(17-8-6-16(2)7-9-17)21(26)25(22(20)27)15-18-5-4-14-28-18/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyGWZAPXWPYLIMHR-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.51
Rot. Bonds5

About 3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione

3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione (PubChem CID 110572131) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione
PubChem CID110572131
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione
SMILESCCN1CCN(C2=C(c3ccc(C)cc3)C(=O)N(Cc3ccco3)C2=O)CC1
InChIInChI=1S/C22H25N3O3/c1-3-23-10-12-24(13-11-23)20-19(17-8-6-16(2)7-9-17)21(26)25(22(20)27)15-18-5-4-14-28-18/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyGWZAPXWPYLIMHR-UHFFFAOYSA-N
XLogP2.51
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,6-dimethylmorpholin-4-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572130
3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110548612
1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110556035
1-(furan-2-ylmethyl)-3-(4-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110559098
1-benzyl-3-(4-ethylpiperazin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110559262
3-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110544101
3-(4-benzylpiperidin-1-yl)-1-(furan-2-ylmethyl)-4-phenylpyrrole-2,5-dione
CID 110559101
3-(4-ethylpiperazin-1-yl)-1-[(4-methylphenyl)methyl]-4-thiophen-2-ylpyrrole-2,5-dione
CID 110552543
1-(furan-2-ylmethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]-4-phenylpyrrole-2,5-dione
CID 110559126
3-(4-chlorophenyl)-1-(furan-2-ylmethyl)-4-[3-(hydroxymethyl)piperidin-1-yl]pyrrole-2,5-dione
CID 110569380
1-ethyl-3-(4-ethylpiperazin-1-yl)-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110556315
3-(4-chlorophenyl)-4-(4-ethylpiperazin-1-yl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110569459

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione (CID 110572131) is 3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione is CCN1CCN(C2=C(c3ccc(C)cc3)C(=O)N(Cc3ccco3)C2=O)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
The InChIKey is GWZAPXWPYLIMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-23-10-12-24(13-11-23)20-19(17-8-6-16(2)7-9-17)21(26)25(22(20)27)15-18-5-4-14-28-18/h4-9,14H,3,10-13,15H2,1-2H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione?
3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione has a molecular weight of 379.46 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-1-(furan-2-ylmethyl)-4-(4-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110572131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).