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

C24H25ClN2O2 — CID 110550929

IUPAC1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCCC(C)C3)C(=O)N(c3ccccc3Cl)C2=O)cc1C
InChIInChI=1S/C24H25ClN2O2/c1-15-7-6-12-26(14-15)22-21(18-11-10-16(2)17(3)13-18)23(28)27(24(22)29)20-9-5-4-8-19(20)25/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3
InChIKeyGCMSGGGFHKARLU-UHFFFAOYSA-N
MW408.93 g/mol
LogP4.97
Rot. Bonds3

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

1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione (PubChem CID 110550929) has the molecular formula C24H25ClN2O2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
PubChem CID110550929
Molecular FormulaC24H25ClN2O2
Molecular Weight408.93 g/mol
Exact Mass408.16
IUPAC Name1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCc1ccc(C2=C(N3CCCC(C)C3)C(=O)N(c3ccccc3Cl)C2=O)cc1C
InChIInChI=1S/C24H25ClN2O2/c1-15-7-6-12-26(14-15)22-21(18-11-10-16(2)17(3)13-18)23(28)27(24(22)29)20-9-5-4-8-19(20)25/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3
InChIKeyGCMSGGGFHKARLU-UHFFFAOYSA-N
XLogP4.97
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 54.97
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-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110562155
3-(3,4-dimethylphenyl)-1-(4-fluorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110549706
1-(3-chloro-4-methylphenyl)-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110571152
4-[3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]benzonitrile
CID 110550717
3-(3,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110564828
3-(4-methylphenyl)-4-(3-methylpiperidin-1-yl)-1-naphthalen-1-ylpyrrole-2,5-dione
CID 110574191
3-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110564777
3-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110549845
1-(2-chlorophenyl)-3-(4-methylpiperidin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110562182
3-(4-chlorophenyl)-1-(2-ethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110570444
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555319
1-(2,3-dichlorophenyl)-3-(3-methylpiperidin-1-yl)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110555576

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione (CID 110550929) is 1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione is Cc1ccc(C2=C(N3CCCC(C)C3)C(=O)N(c3ccccc3Cl)C2=O)cc1C.
What is the InChIKey of 1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
The InChIKey is GCMSGGGFHKARLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O2/c1-15-7-6-12-26(14-15)22-21(18-11-10-16(2)17(3)13-18)23(28)27(24(22)29)20-9-5-4-8-19(20)25/h4-5,8-11,13,15H,6-7,12,14H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione?
1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione has a molecular weight of 408.93 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 110550929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).