1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione

C23H26ClN3O2 — CID 42631196

IUPAC1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccccc1C1CC(=O)N(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O
InChIInChI=1S/C23H26ClN3O2/c1-17-5-2-3-8-20(17)21-16-22(28)27(23(21)29)14-11-25-9-12-26(13-10-25)19-7-4-6-18(24)15-19/h2-8,15,21H,9-14,16H2,1H3
InChIKeyPCGHLRMNLLZPEX-UHFFFAOYSA-N
MW411.93 g/mol
LogP3.31
Rot. Bonds5

About 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione

1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 42631196) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
PubChem CID42631196
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccccc1C1CC(=O)N(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O
InChIInChI=1S/C23H26ClN3O2/c1-17-5-2-3-8-20(17)21-16-22(28)27(23(21)29)14-11-25-9-12-26(13-10-25)19-7-4-6-18(24)15-19/h2-8,15,21H,9-14,16H2,1H3
InChIKeyPCGHLRMNLLZPEX-UHFFFAOYSA-N
XLogP3.31
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylphenyl)-1-[2-(4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 42631193
3-(2-methylphenyl)-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 42631197
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-[2-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 42631096
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-cyclohexylpyrrolidine-2,5-dione
CID 25269976
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 86738729
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione
CID 46196479
4-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
CID 14086477
3-(3-chlorophenyl)-1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]pyrrolidine-2,5-dione
CID 46854841
N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 11442899
(3R)-1-benzyl-3-[4-(3-chlorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2689096
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381129
(7aS)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 990015

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione (CID 42631196) is 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione is Cc1ccccc1C1CC(=O)N(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O.
What is the InChIKey of 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is PCGHLRMNLLZPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-17-5-2-3-8-20(17)21-16-22(28)27(23(21)29)14-11-25-9-12-26(13-10-25)19-7-4-6-18(24)15-19/h2-8,15,21H,9-14,16H2,1H3.
What are the key properties of 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione?
1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 411.93 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(2-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 42631196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).