3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione

C25H28N2O3 — CID 110579398

IUPAC3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCCOc1ccccc1N1C(=O)C(c2ccc(C)cc2C)=C(N2CCCCC2)C1=O
InChIInChI=1S/C25H28N2O3/c1-4-30-21-11-7-6-10-20(21)27-24(28)22(19-13-12-17(2)16-18(19)3)23(25(27)29)26-14-8-5-9-15-26/h6-7,10-13,16H,4-5,8-9,14-15H2,1-3H3
InChIKeyMNPSJJFWCUORNO-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.47
Rot. Bonds5

About 3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione

3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione (PubChem CID 110579398) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
PubChem CID110579398
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
SMILESCCOc1ccccc1N1C(=O)C(c2ccc(C)cc2C)=C(N2CCCCC2)C1=O
InChIInChI=1S/C25H28N2O3/c1-4-30-21-11-7-6-10-20(21)27-24(28)22(19-13-12-17(2)16-18(19)3)23(25(27)29)26-14-8-5-9-15-26/h6-7,10-13,16H,4-5,8-9,14-15H2,1-3H3
InChIKeyMNPSJJFWCUORNO-UHFFFAOYSA-N
XLogP4.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-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-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110579408
3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)pyrrole-2,5-dione
CID 110579403
3-(2,4-dimethylphenyl)-1-(4-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110579648
3-(2,4-dimethylphenyl)-1-naphthalen-1-yl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110580030
3-(2,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)-1-(2-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110580064
1-(2,3-dichlorophenyl)-3-(2,4-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110580594
3-(2-methoxyphenyl)-4-piperidin-1-yl-1-(2-propoxyphenyl)pyrrole-2,5-dione
CID 110567397
3-(2,4-dimethylphenyl)-1-(2-methylphenyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110580391
1-(2-chlorophenyl)-3-(2,4-dimethylphenyl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 110580567
3-(2-methoxyphenyl)-1-(2-methylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110567665
3-(2,4-dimethylphenyl)-1-(2-fluorophenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110579487
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2,4-dimethylphenyl)-1-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110579664

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione (CID 110579398) is 3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione is CCOc1ccccc1N1C(=O)C(c2ccc(C)cc2C)=C(N2CCCCC2)C1=O.
What is the InChIKey of 3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
The InChIKey is MNPSJJFWCUORNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-4-30-21-11-7-6-10-20(21)27-24(28)22(19-13-12-17(2)16-18(19)3)23(25(27)29)26-14-8-5-9-15-26/h6-7,10-13,16H,4-5,8-9,14-15H2,1-3H3.
What are the key properties of 3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione?
3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione has a molecular weight of 404.51 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-4-piperidin-1-ylpyrrole-2,5-dione is sourced from PubChem (CID 110579398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).