1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione

C26H30N2O5 — CID 110567380

IUPAC1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(c3ccccc3OC)=C(N3CC(C)CC(C)C3)C2=O)cc1OC
InChIInChI=1S/C26H30N2O5/c1-16-12-17(2)15-27(14-16)24-23(19-8-6-7-9-20(19)31-3)25(29)28(26(24)30)18-10-11-21(32-4)22(13-18)33-5/h6-11,13,16-17H,12,14-15H2,1-5H3
InChIKeyPLRYHHOASTZEIU-UHFFFAOYSA-N
MW450.54 g/mol
LogP3.97
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione

1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110567380) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110567380
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Name1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(N2C(=O)C(c3ccccc3OC)=C(N3CC(C)CC(C)C3)C2=O)cc1OC
InChIInChI=1S/C26H30N2O5/c1-16-12-17(2)15-27(14-16)24-23(19-8-6-7-9-20(19)31-3)25(29)28(26(24)30)18-10-11-21(32-4)22(13-18)33-5/h6-11,13,16-17H,12,14-15H2,1-5H3
InChIKeyPLRYHHOASTZEIU-UHFFFAOYSA-N
XLogP3.97
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-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

1-(3,4-dichlorophenyl)-3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110567081
1-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560574
1-(3-chloro-4-methylphenyl)-3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110567499
1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110567152
1-(4-tert-butylphenyl)-3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110567210
1-(3,4-dimethoxyphenyl)-3-(2,6-dimethylmorpholin-4-yl)-4-phenylpyrrole-2,5-dione
CID 110561479
1-butyl-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110565793
3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110566221
3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110580266
3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110568879
1-(4-butylphenyl)-3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110567000
1-(3,4-dimethoxyphenyl)-3-ethylsulfanyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567393

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione (CID 110567380) is 1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(N2C(=O)C(c3ccccc3OC)=C(N3CC(C)CC(C)C3)C2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is PLRYHHOASTZEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-16-12-17(2)15-27(14-16)24-23(19-8-6-7-9-20(19)31-3)25(29)28(26(24)30)18-10-11-21(32-4)22(13-18)33-5/h6-11,13,16-17H,12,14-15H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione?
1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 450.54 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110567380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).