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

C24H24Cl2N2O3 — CID 110568879

IUPAC3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1N1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CC(C)CC(C)C2)C1=O
InChIInChI=1S/C24H24Cl2N2O3/c1-14-10-15(2)13-27(12-14)22-21(17-9-8-16(25)11-18(17)26)23(29)28(24(22)30)19-6-4-5-7-20(19)31-3/h4-9,11,14-15H,10,12-13H2,1-3H3
InChIKeyNBWQHIUICXWILU-UHFFFAOYSA-N
MW459.37 g/mol
LogP5.26
Rot. Bonds4

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

3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 110568879) has the molecular formula C24H24Cl2N2O3 and a molecular weight of 459.37 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
PubChem CID110568879
Molecular FormulaC24H24Cl2N2O3
Molecular Weight459.37 g/mol
Exact Mass458.12
IUPAC Name3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccccc1N1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CC(C)CC(C)C2)C1=O
InChIInChI=1S/C24H24Cl2N2O3/c1-14-10-15(2)13-27(12-14)22-21(17-9-8-16(25)11-18(17)26)23(29)28(24(22)30)19-6-4-5-7-20(19)31-3/h4-9,11,14-15H,10,12-13H2,1-3H3
InChIKeyNBWQHIUICXWILU-UHFFFAOYSA-N
XLogP5.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.37
LogP ≤ 55.26
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-(2,4-dichlorophenyl)-1-(2-methoxyphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568882
3-(2,4-dichlorophenyl)-1-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110568892
3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione
CID 110568211
3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)pyrrole-2,5-dione
CID 110580266
1-(3,4-dimethoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110567380
3-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561779
1-(4-chlorophenyl)-3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110567152
1-cycloheptyl-3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110568334
1-(3-chloro-4-methoxyphenyl)-3-(3,5-dimethylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560574
3-(2,4-dichlorophenyl)-1-(2-fluorophenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110568680
1-(3,4-dichlorophenyl)-3-(2-methoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110567081
3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(2,4-dichlorophenyl)pyrrole-2,5-dione
CID 110584016

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione (CID 110568879) is 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione is COc1ccccc1N1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CC(C)CC(C)C2)C1=O.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is NBWQHIUICXWILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O3/c1-14-10-15(2)13-27(12-14)22-21(17-9-8-16(25)11-18(17)26)23(29)28(24(22)30)19-6-4-5-7-20(19)31-3/h4-9,11,14-15H,10,12-13H2,1-3H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 459.37 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-(2-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 110568879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).