3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione

C26H30N2O4 — CID 110564828

IUPAC3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCCC(C)C3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1OC
InChIInChI=1S/C26H30N2O4/c1-16-8-9-18(3)20(13-16)28-25(29)23(19-10-11-21(31-4)22(14-19)32-5)24(26(28)30)27-12-6-7-17(2)15-27/h8-11,13-14,17H,6-7,12,15H2,1-5H3
InChIKeyVZKSJQYTWZYAKC-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.34
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione

3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione (PubChem CID 110564828) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
PubChem CID110564828
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=C(N3CCCC(C)C3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1OC
InChIInChI=1S/C26H30N2O4/c1-16-8-9-18(3)20(13-16)28-25(29)23(19-10-11-21(31-4)22(14-19)32-5)24(26(28)30)27-12-6-7-17(2)15-27/h8-11,13-14,17H,6-7,12,15H2,1-5H3
InChIKeyVZKSJQYTWZYAKC-UHFFFAOYSA-N
XLogP4.34
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110564830
3-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110564777
3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110564834
1-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110574086
1-cycloheptyl-3-(3,4-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110564302
3-(3,4-dimethoxyphenyl)-4-[3-(hydroxymethyl)piperidin-1-yl]-1-(2-methylphenyl)pyrrole-2,5-dione
CID 110565089
1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-4-[3-(hydroxymethyl)piperidin-1-yl]pyrrole-2,5-dione
CID 110550084
3-(2,6-dimethylmorpholin-4-yl)-4-(3,4-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110550636
1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110550929
3-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561779
3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110580266
3-(4-chlorophenyl)-1-(2,5-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110570708

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione (CID 110564828) is 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione is COc1ccc(C2=C(N3CCCC(C)C3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
The InChIKey is VZKSJQYTWZYAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-16-8-9-18(3)20(13-16)28-25(29)23(19-10-11-21(31-4)22(14-19)32-5)24(26(28)30)27-12-6-7-17(2)15-27/h8-11,13-14,17H,6-7,12,15H2,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione has a molecular weight of 434.54 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 110564828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).