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

C26H29N3O2 — CID 110579034

IUPAC3-(2,4-dimethylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccc(C)cc2C)=C(N2CCN(c3cccc(C)c3)CC2)C1=O
InChIInChI=1S/C26H29N3O2/c1-5-11-29-25(30)23(22-10-9-19(3)16-20(22)4)24(26(29)31)28-14-12-27(13-15-28)21-8-6-7-18(2)17-21/h5-10,16-17H,1,11-15H2,2-4H3
InChIKeyZEXDTDRQTNRAIK-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.70
Rot. Bonds5

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

3-(2,4-dimethylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione (PubChem CID 110579034) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione
PubChem CID110579034
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name3-(2,4-dimethylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccc(C)cc2C)=C(N2CCN(c3cccc(C)c3)CC2)C1=O
InChIInChI=1S/C26H29N3O2/c1-5-11-29-25(30)23(22-10-9-19(3)16-20(22)4)24(26(29)31)28-14-12-27(13-15-28)21-8-6-7-18(2)17-21/h5-10,16-17H,1,11-15H2,2-4H3
InChIKeyZEXDTDRQTNRAIK-UHFFFAOYSA-N
XLogP3.70
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethylphenyl)-1-hexyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110578980
3-(2,4-dimethylphenyl)-4-(4-methylpiperazin-1-yl)-1-propylpyrrole-2,5-dione
CID 110578488
3-(2,4-dimethylphenyl)-1-(3-methylphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110579934
3-(4-methylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-(2-propan-2-yloxyethyl)pyrrole-2,5-dione
CID 110572573
3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(2,4-dimethylphenyl)-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110579928
3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110548985
3-(2,4-dimethylphenyl)-1-(2-methoxyethyl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110578622
3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110568221
3-(2,4-dimethylphenyl)-4-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110579448
3-(2,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-4-piperidin-1-ylpyrrole-2,5-dione
CID 110578842
3-(2,4-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)-1-[(2-fluorophenyl)methyl]pyrrole-2,5-dione
CID 110578908
3-(2,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110578881

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dimethylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione (CID 110579034) is 3-(2,4-dimethylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dimethylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione is C=CCN1C(=O)C(c2ccc(C)cc2C)=C(N2CCN(c3cccc(C)c3)CC2)C1=O.
What is the InChIKey of 3-(2,4-dimethylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione?
The InChIKey is ZEXDTDRQTNRAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-5-11-29-25(30)23(22-10-9-19(3)16-20(22)4)24(26(29)31)28-14-12-27(13-15-28)21-8-6-7-18(2)17-21/h5-10,16-17H,1,11-15H2,2-4H3.
What are the key properties of 3-(2,4-dimethylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione?
3-(2,4-dimethylphenyl)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione has a molecular weight of 415.54 g/mol, XLogP of 3.70, 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)-4-[4-(3-methylphenyl)piperazin-1-yl]-1-prop-2-enylpyrrole-2,5-dione is sourced from PubChem (CID 110579034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).