3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione

C19H23ClN2O3 — CID 45183466

IUPAC3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC1CCN(C(=O)CC2(c3ccccc3Cl)CC(=O)N(C)C2=O)CC1
InChIInChI=1S/C19H23ClN2O3/c1-13-7-9-22(10-8-13)17(24)12-19(11-16(23)21(2)18(19)25)14-5-3-4-6-15(14)20/h3-6,13H,7-12H2,1-2H3
InChIKeyUITHJHDOULXXBU-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.62
Rot. Bonds3

About 3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione

3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 45183466) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID45183466
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCC1CCN(C(=O)CC2(c3ccccc3Cl)CC(=O)N(C)C2=O)CC1
InChIInChI=1S/C19H23ClN2O3/c1-13-7-9-22(10-8-13)17(24)12-19(11-16(23)21(2)18(19)25)14-5-3-4-6-15(14)20/h3-6,13H,7-12H2,1-2H3
InChIKeyUITHJHDOULXXBU-UHFFFAOYSA-N
XLogP2.62
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.62
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

(3R)-3-(2-chlorophenyl)-3-[2-[4-[(1S)-1-hydroxy-2-phenylethyl]piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
CID 42192322
(3R)-3-(2-chlorophenyl)-1-methyl-3-[2-oxo-2-[(3S)-3-propanoylpiperidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42317641
(3S)-3-(2-chlorophenyl)-3-[2-[4-(3-fluorophenoxy)piperidin-1-yl]-2-oxoethyl]-1-methylpyrrolidine-2,5-dione
CID 125160353
(3S)-3-(3-fluorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 42369572
ethyl (2S)-1-[2-[(3S)-3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]acetyl]piperidine-2-carboxylate
CID 26338327
3-(2-chlorophenyl)-1-methyl-3-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45166152
(3S)-3-[2-(azepan-1-yl)-2-oxoethyl]-3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrrolidine-2,5-dione
CID 42163290
(3R)-3-(2-chlorophenyl)-3-[2-[4-[(1S)-1-hydroxypropyl]piperidin-1-yl]-2-oxoethyl]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 42380968
ethyl 2-[[2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]acetyl]-methylamino]acetate
CID 126463819
(3S)-3-(2-chlorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(4-thiomorpholin-4-ylpiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 25365284
N-butyl-2-[3-(2-chlorophenyl)-1-methyl-2,5-dioxopyrrolidin-3-yl]-N-methylacetamide
CID 45175129
3-(2-chlorophenyl)-1-[2-(dimethylamino)ethyl]-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 45192795

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione (CID 45183466) is 3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione is CC1CCN(C(=O)CC2(c3ccccc3Cl)CC(=O)N(C)C2=O)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is UITHJHDOULXXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-13-7-9-22(10-8-13)17(24)12-19(11-16(23)21(2)18(19)25)14-5-3-4-6-15(14)20/h3-6,13H,7-12H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione?
3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 362.86 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-methyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 45183466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).