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

C20H25ClN2O2 — CID 110570022

IUPAC3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCC(C)CN1C(=O)C(c2ccc(Cl)cc2)=C(N2CCCC(C)C2)C1=O
InChIInChI=1S/C20H25ClN2O2/c1-13(2)11-23-19(24)17(15-6-8-16(21)9-7-15)18(20(23)25)22-10-4-5-14(3)12-22/h6-9,13-14H,4-5,10-12H2,1-3H3
InChIKeyQMFSTLHHPDVMNJ-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.81
Rot. Bonds4

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

3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione (PubChem CID 110570022) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione
PubChem CID110570022
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCC(C)CN1C(=O)C(c2ccc(Cl)cc2)=C(N2CCCC(C)C2)C1=O
InChIInChI=1S/C20H25ClN2O2/c1-13(2)11-23-19(24)17(15-6-8-16(21)9-7-15)18(20(23)25)22-10-4-5-14(3)12-22/h6-9,13-14H,4-5,10-12H2,1-3H3
InChIKeyQMFSTLHHPDVMNJ-UHFFFAOYSA-N
XLogP3.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.81
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

3-(4-chlorophenyl)-1-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569140
1-benzyl-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569484
3-(4-chlorophenyl)-1-methyl-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569670
3-(4-chlorophenyl)-1-cyclohexyl-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569781
3-(3,5-dimethylpiperidin-1-yl)-4-(4-methylphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110572895
3-(3,5-dimethylpiperidin-1-yl)-1-(2-methylpropyl)-4-phenylpyrrole-2,5-dione
CID 110559926
1-[2-(4-chlorophenyl)ethyl]-3-(3-methylpiperidin-1-yl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110540888
3-(4-methylphenyl)-1-(2-methylpropyl)-4-pyrrolidin-1-ylpyrrole-2,5-dione
CID 110572897
1-(3-chloro-4-methylphenyl)-3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110571152
1-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-4-[4-(2-methylpropoxy)phenyl]pyrrole-2,5-dione
CID 110550998
1-[(4-chlorophenyl)methyl]-3-(2,4-dimethylphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110578103
3-(4-chlorophenyl)-1-(3,5-dimethoxyphenyl)-4-(3-methylpiperidin-1-yl)pyrrole-2,5-dione
CID 110569009

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione (CID 110570022) is 3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione is CC(C)CN1C(=O)C(c2ccc(Cl)cc2)=C(N2CCCC(C)C2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The InChIKey is QMFSTLHHPDVMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-13(2)11-23-19(24)17(15-6-8-16(21)9-7-15)18(20(23)25)22-10-4-5-14(3)12-22/h6-9,13-14H,4-5,10-12H2,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione has a molecular weight of 360.89 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-(3-methylpiperidin-1-yl)-1-(2-methylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 110570022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).