1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione

C25H29N3O4 — CID 110582354

IUPAC1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(CC)CC4)cc3)C2=O)cc1
InChIInChI=1S/C25H29N3O4/c1-3-17-32-21-11-5-18(6-12-21)22-23(29)25(31)28(24(22)30)20-9-7-19(8-10-20)27-15-13-26(4-2)14-16-27/h5-12,29H,3-4,13-17H2,1-2H3
InChIKeyBCNUHRHTLQEZGQ-UHFFFAOYSA-N
MW435.52 g/mol
LogP3.46
Rot. Bonds7

About 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione

1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione (PubChem CID 110582354) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
PubChem CID110582354
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC Name1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
SMILESCCCOc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(CC)CC4)cc3)C2=O)cc1
InChIInChI=1S/C25H29N3O4/c1-3-17-32-21-11-5-18(6-12-21)22-23(29)25(31)28(24(22)30)20-9-7-19(8-10-20)27-15-13-26(4-2)14-16-27/h5-12,29H,3-4,13-17H2,1-2H3
InChIKeyBCNUHRHTLQEZGQ-UHFFFAOYSA-N
XLogP3.46
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)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-hydroxy-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582432
1-[4-(dimethylamino)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582359
1-(4-butylphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582426
1-(3,4-difluorophenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582463
butyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate
CID 110582457
1-(3-ethoxyphenyl)-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110582348
2-ethoxyethyl 4-[3-hydroxy-2,5-dioxo-4-(4-propoxyphenyl)pyrrol-1-yl]benzoate
CID 110582468
3-[4-(2-hydroxyethyl)piperazin-1-yl]-1-phenyl-4-(4-propoxyphenyl)pyrrole-2,5-dione
CID 110577487
1-(4-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110544987
3-hydroxy-1-[4-(4-methylpiperidin-1-yl)phenyl]-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110584701
4-[3-(4-ethoxyphenyl)-4-hydroxy-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110583383
1-(4-methylphenyl)-3-(4-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110577575

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione (CID 110582354) is 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione is CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(CC)CC4)cc3)C2=O)cc1.
What is the InChIKey of 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione?
The InChIKey is BCNUHRHTLQEZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-3-17-32-21-11-5-18(6-12-21)22-23(29)25(31)28(24(22)30)20-9-7-19(8-10-20)27-15-13-26(4-2)14-16-27/h5-12,29H,3-4,13-17H2,1-2H3.
What are the key properties of 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione?
1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione has a molecular weight of 435.52 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-hydroxy-4-(4-propoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110582354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).