1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione

C22H26Cl2N2O2 — CID 110568304

IUPAC1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCC1CCN(C2=C(c3ccc(Cl)cc3Cl)C(=O)N(C3CCCCC3)C2=O)CC1
InChIInChI=1S/C22H26Cl2N2O2/c1-14-9-11-25(12-10-14)20-19(17-8-7-15(23)13-18(17)24)21(27)26(22(20)28)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3
InChIKeyYUWMBCFMZZHLKV-UHFFFAOYSA-N
MW421.37 g/mol
LogP5.14
Rot. Bonds3

About 1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione

1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione (PubChem CID 110568304) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
PubChem CID110568304
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC Name1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
SMILESCC1CCN(C2=C(c3ccc(Cl)cc3Cl)C(=O)N(C3CCCCC3)C2=O)CC1
InChIInChI=1S/C22H26Cl2N2O2/c1-14-9-11-25(12-10-14)20-19(17-8-7-15(23)13-18(17)24)21(27)26(22(20)28)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3
InChIKeyYUWMBCFMZZHLKV-UHFFFAOYSA-N
XLogP5.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.37
LogP ≤ 55.14
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-(4-chlorophenyl)-1-cyclohexyl-4-piperidin-1-ylpyrrole-2,5-dione
CID 110569779
3-(2,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110568715
3-(4-chlorophenyl)-1-cyclohexyl-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569781
3-(2,4-dichlorophenyl)-1-ethyl-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110568175
1-cycloheptyl-3-(4-ethoxyphenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110546785
1-cyclooctyl-3-(4-methylpiperidin-1-yl)-4-(4-propan-2-yloxyphenyl)pyrrole-2,5-dione
CID 110575386
3-(4-chlorophenyl)-1-cyclohexyl-4-morpholin-4-ylpyrrole-2,5-dione
CID 110569785
3-(4-chlorophenyl)-1-cycloheptyl-4-(4-ethylpiperazin-1-yl)pyrrole-2,5-dione
CID 110569820
1-cycloheptyl-3-(3,4-dimethylphenyl)-4-piperidin-1-ylpyrrole-2,5-dione
CID 110549080
3-(2,4-dichlorophenyl)-4-(3,5-dimethylpiperidin-1-yl)-1-methylpyrrole-2,5-dione
CID 110568211
1-cyclooctyl-3-(4-methylpiperidin-1-yl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110551407

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione?
The IUPAC name of 1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione (CID 110568304) is 1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione is CC1CCN(C2=C(c3ccc(Cl)cc3Cl)C(=O)N(C3CCCCC3)C2=O)CC1.
What is the InChIKey of 1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione?
The InChIKey is YUWMBCFMZZHLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c1-14-9-11-25(12-10-14)20-19(17-8-7-15(23)13-18(17)24)21(27)26(22(20)28)16-5-3-2-4-6-16/h7-8,13-14,16H,2-6,9-12H2,1H3.
What are the key properties of 1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione?
1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione has a molecular weight of 421.37 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2,4-dichlorophenyl)-4-(4-methylpiperidin-1-yl)pyrrole-2,5-dione is sourced from PubChem (CID 110568304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).