3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione

C26H31N3O3 — CID 110548985

IUPAC3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione
SMILESCOCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2CCN(c3cccc(C)c3)CC2)C1=O
InChIInChI=1S/C26H31N3O3/c1-18-6-5-7-22(16-18)27-10-12-28(13-11-27)24-23(21-9-8-19(2)20(3)17-21)25(30)29(26(24)31)14-15-32-4/h5-9,16-17H,10-15H2,1-4H3
InChIKeyWEQZOLIJXNBNSR-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.16
Rot. Bonds6

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

3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione (PubChem CID 110548985) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione
PubChem CID110548985
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione
SMILESCOCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2CCN(c3cccc(C)c3)CC2)C1=O
InChIInChI=1S/C26H31N3O3/c1-18-6-5-7-22(16-18)27-10-12-28(13-11-27)24-23(21-9-8-19(2)20(3)17-21)25(30)29(26(24)31)14-15-32-4/h5-9,16-17H,10-15H2,1-4H3
InChIKeyWEQZOLIJXNBNSR-UHFFFAOYSA-N
XLogP3.16
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110572573
3-(3,4-dimethylphenyl)-1-(3-methoxypropyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110549142
1-[2-(3,5-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110549572
N-[4-[4-[4-(3-methylphenyl)piperazin-1-yl]-2,5-dioxo-1-propylpyrrol-3-yl]phenyl]acetamide
CID 110562622
1-(2-methoxyethyl)-3-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110572522
1-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110556405
3-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110578622
3-(3,4-dimethylphenyl)-1-(furan-2-ylmethyl)-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110548612
3-(4-ethylpiperazin-1-yl)-1-(2-methoxyethyl)-4-phenylpyrrole-2,5-dione
CID 110559523
3-(3,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)-1-pentylpyrrole-2,5-dione
CID 110548777
3-(4-fluorophenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
CID 110543427
3-(3,4-dimethylphenyl)-1-(3-ethoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110548233

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione (CID 110548985) is 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione is COCCN1C(=O)C(c2ccc(C)c(C)c2)=C(N2CCN(c3cccc(C)c3)CC2)C1=O.
What is the InChIKey of 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione?
The InChIKey is WEQZOLIJXNBNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-18-6-5-7-22(16-18)27-10-12-28(13-11-27)24-23(21-9-8-19(2)20(3)17-21)25(30)29(26(24)31)14-15-32-4/h5-9,16-17H,10-15H2,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione?
3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione has a molecular weight of 433.55 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione is sourced from PubChem (CID 110548985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).