1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione

C24H26N2O2 — CID 110573681

IUPAC1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCCc1ccc(N2C(=O)C(c3ccc(C)cc3)=C(N3CCCCC3)C2=O)cc1
InChIInChI=1S/C24H26N2O2/c1-3-18-9-13-20(14-10-18)26-23(27)21(19-11-7-17(2)8-12-19)22(24(26)28)25-15-5-4-6-16-25/h7-14H,3-6,15-16H2,1-2H3
InChIKeyKXFVJMCFLWVGIB-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.33
Rot. Bonds4

About 1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione

1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 110573681) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID110573681
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCCc1ccc(N2C(=O)C(c3ccc(C)cc3)=C(N3CCCCC3)C2=O)cc1
InChIInChI=1S/C24H26N2O2/c1-3-18-9-13-20(14-10-18)26-23(27)21(19-11-7-17(2)8-12-19)22(24(26)28)25-15-5-4-6-16-25/h7-14H,3-6,15-16H2,1-2H3
InChIKeyKXFVJMCFLWVGIB-UHFFFAOYSA-N
XLogP4.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110573683
1-[4-(diethylamino)phenyl]-3-(4-methylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110571763
3-(3,4-dimethoxyphenyl)-1-(4-ethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110564799
1-(4-methylphenyl)-3-(4-propoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110577575
3-(4-chlorophenyl)-1-(4-ethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110570639
3-(azepan-1-yl)-4-chloro-1-(4-ethylphenyl)pyrrole-2,5-dione
CID 2910628
3-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110571738
1-(4-butylphenyl)-3-(4-methylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110573750
1-(4-ethylphenyl)-3-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110544948
1-(4-butylphenyl)-3-(4-ethoxyphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110547523
3-(3,5-dimethylpiperidin-1-yl)-4-(4-methylphenyl)-1-(4-pyrrolidin-1-ylphenyl)pyrrole-2,5-dione
CID 110571740
1,3-diphenyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 22728644

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione (CID 110573681) is 1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione is CCc1ccc(N2C(=O)C(c3ccc(C)cc3)=C(N3CCCCC3)C2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is KXFVJMCFLWVGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-3-18-9-13-20(14-10-18)26-23(27)21(19-11-7-17(2)8-12-19)22(24(26)28)25-15-5-4-6-16-25/h7-14H,3-6,15-16H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 374.48 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(4-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110573681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).