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

C18H20Cl2N2O2 — CID 110568211

IUPAC3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione
SMILESCC1CC(C)CN(C2=C(c3ccc(Cl)cc3Cl)C(=O)N(C)C2=O)C1
InChIInChI=1S/C18H20Cl2N2O2/c1-10-6-11(2)9-22(8-10)16-15(17(23)21(3)18(16)24)13-5-4-12(19)7-14(13)20/h4-5,7,10-11H,6,8-9H2,1-3H3
InChIKeyYBXGHUKTTJLIOV-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.68
Rot. Bonds2

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

3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione (PubChem CID 110568211) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione
PubChem CID110568211
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione
SMILESCC1CC(C)CN(C2=C(c3ccc(Cl)cc3Cl)C(=O)N(C)C2=O)C1
InChIInChI=1S/C18H20Cl2N2O2/c1-10-6-11(2)9-22(8-10)16-15(17(23)21(3)18(16)24)13-5-4-12(19)7-14(13)20/h4-5,7,10-11H,6,8-9H2,1-3H3
InChIKeyYBXGHUKTTJLIOV-UHFFFAOYSA-N
XLogP3.68
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cycloheptyl-3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110568334
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-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110568879
3-(2,4-dichlorophenyl)-1-methyl-4-(4-phenylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568220
3-(2,4-dichlorophenyl)-1-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110568224
3-(4-chlorophenyl)-1-methyl-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569670
3-(2,4-dichlorophenyl)-1-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]pyrrole-2,5-dione
CID 110568221
3-(2,4-dichlorophenyl)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-methylpyrrole-2,5-dione
CID 110568222
1,3-bis(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110570834
1-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110571175
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-(3,5-dimethylpiperidin-1-yl)pyrrole-2,5-dione
CID 110578104
1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110568304

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione (CID 110568211) is 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione is CC1CC(C)CN(C2=C(c3ccc(Cl)cc3Cl)C(=O)N(C)C2=O)C1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione?
The InChIKey is YBXGHUKTTJLIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-10-6-11(2)9-22(8-10)16-15(17(23)21(3)18(16)24)13-5-4-12(19)7-14(13)20/h4-5,7,10-11H,6,8-9H2,1-3H3.
What are the key properties of 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione?
3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione has a molecular weight of 367.28 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 110568211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).