1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione

C14H16ClN3O2 — CID 54773610

IUPAC1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCNCC2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C14H16ClN3O2/c15-10-3-1-2-4-11(10)18-13(19)9-12(14(18)20)17-7-5-16-6-8-17/h1-4,12,16H,5-9H2
InChIKeyGFRCLPXYOBDSHR-UHFFFAOYSA-N
MW293.75 g/mol
LogP0.88
Rot. Bonds2

About 1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione

1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione (PubChem CID 54773610) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
PubChem CID54773610
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
SMILESO=C1CC(N2CCNCC2)C(=O)N1c1ccccc1Cl
InChIInChI=1S/C14H16ClN3O2/c15-10-3-1-2-4-11(10)18-13(19)9-12(14(18)20)17-7-5-16-6-8-17/h1-4,12,16H,5-9H2
InChIKeyGFRCLPXYOBDSHR-UHFFFAOYSA-N
XLogP0.88
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-piperazin-1-yl-1-(2-propan-2-ylphenyl)pyrrolidine-2,5-dione
CID 54773621
(3R)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)pyrrolidine-2,5-dione
CID 1080528
(3R)-3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2-methylphenyl)pyrrolidine-2,5-dione
CID 2085222
2-(2-chlorophenyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
CID 79965715
(3R)-3-(4-benzhydrylpiperazin-1-yl)-1-(2,3-dichlorophenyl)pyrrolidine-2,5-dione
CID 1292395
1-(3-fluorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773613
1-(2-chlorophenyl)piperazine
CID 162116490
1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 3907565
(3R)-1-(2,3-dichlorophenyl)-3-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 2085476
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773614
(3S)-1-(2-chlorophenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrrolidine-2,5-dione
CID 30467864
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione (CID 54773610) is 1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione is O=C1CC(N2CCNCC2)C(=O)N1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione?
The InChIKey is GFRCLPXYOBDSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-10-3-1-2-4-11(10)18-13(19)9-12(14(18)20)17-7-5-16-6-8-17/h1-4,12,16H,5-9H2.
What are the key properties of 1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione?
1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione has a molecular weight of 293.75 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 54773610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).