3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione

C24H27N3O4 — CID 110546666

IUPAC3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N3CCN(c4ccccc4OC)CC3)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C24H27N3O4/c1-4-31-18-11-9-17(10-12-18)21-22(24(29)25(2)23(21)28)27-15-13-26(14-16-27)19-7-5-6-8-20(19)30-3/h5-12H,4,13-16H2,1-3H3
InChIKeySURBIFWHBYPWEW-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.63
Rot. Bonds6

About 3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione

3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione (PubChem CID 110546666) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione
PubChem CID110546666
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione
SMILESCCOc1ccc(C2=C(N3CCN(c4ccccc4OC)CC3)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C24H27N3O4/c1-4-31-18-11-9-17(10-12-18)21-22(24(29)25(2)23(21)28)27-15-13-26(14-16-27)19-7-5-6-8-20(19)30-3/h5-12H,4,13-16H2,1-3H3
InChIKeySURBIFWHBYPWEW-UHFFFAOYSA-N
XLogP2.63
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethylphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione
CID 110548940
1-butyl-3-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110556246
1-(4-ethoxyphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 1098869
3-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-nitrophenyl)-1-propylpyrrole-2,5-dione
CID 110541318
3-chloro-4-(4-ethoxyphenyl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581130
3-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-propan-2-ylpyrrole-2,5-dione
CID 110544530
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-(4-ethoxyphenyl)-1-ethylpyrrole-2,5-dione
CID 110546623
3-(4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110556345
3-(4-ethoxyphenyl)-1-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110546585
3-(4-methoxyphenyl)-1-methyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110556352
3-(4-ethoxyphenyl)-4-(4-ethylpiperazin-1-yl)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110546696
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561263

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione (CID 110546666) is 3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione is CCOc1ccc(C2=C(N3CCN(c4ccccc4OC)CC3)C(=O)N(C)C2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione?
The InChIKey is SURBIFWHBYPWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-4-31-18-11-9-17(10-12-18)21-22(24(29)25(2)23(21)28)27-15-13-26(14-16-27)19-7-5-6-8-20(19)30-3/h5-12H,4,13-16H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione?
3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione has a molecular weight of 421.50 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 110546666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).