3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione

C27H32N2O3 — CID 110580266

IUPAC3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C)cc1N1C(=O)C(c2ccc(C)cc2C)=C(N2CC(C)CC(C)C2)C1=O
InChIInChI=1S/C27H32N2O3/c1-16-7-9-21(20(5)12-16)24-25(28-14-18(3)11-19(4)15-28)27(31)29(26(24)30)22-13-17(2)8-10-23(22)32-6/h7-10,12-13,18-19H,11,14-15H2,1-6H3
InChIKeyZYCRLGRHYZHANU-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.88
Rot. Bonds4

About 3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione

3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione (PubChem CID 110580266) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
PubChem CID110580266
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C)cc1N1C(=O)C(c2ccc(C)cc2C)=C(N2CC(C)CC(C)C2)C1=O
InChIInChI=1S/C27H32N2O3/c1-16-7-9-21(20(5)12-16)24-25(28-14-18(3)11-19(4)15-28)27(31)29(26(24)30)22-13-17(2)8-10-23(22)32-6/h7-10,12-13,18-19H,11,14-15H2,1-6H3
InChIKeyZYCRLGRHYZHANU-UHFFFAOYSA-N
XLogP4.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561779
1-(2,5-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-(2,4-dimethylphenyl)pyrrole-2,5-dione
CID 110579604
1-(2,5-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573656
3-(2,4-dichlorophenyl)-1-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110568892
3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110550636
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110580610
3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110568879
3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110564828
1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567380
3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110578158
3-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110570708
3-(2,4-dimethylphenyl)-1-(3,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110579310

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione (CID 110580266) is 3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione is COc1ccc(C)cc1N1C(=O)C(c2ccc(C)cc2C)=C(N2CC(C)CC(C)C2)C1=O.
What is the InChIKey of 3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione?
The InChIKey is ZYCRLGRHYZHANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-16-7-9-21(20(5)12-16)24-25(28-14-18(3)11-19(4)15-28)27(31)29(26(24)30)22-13-17(2)8-10-23(22)32-6/h7-10,12-13,18-19H,11,14-15H2,1-6H3.
What are the key properties of 3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione?
3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione has a molecular weight of 432.56 g/mol, XLogP of 4.88, 4 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-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110580266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).