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

C16H19Cl2N3O2 — CID 173255861

IUPAC3-[2-[4-(2,5-dichlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CC(CCN2CCN(c3cc(Cl)ccc3Cl)CC2)C(=O)N1
InChIInChI=1S/C16H19Cl2N3O2/c17-12-1-2-13(18)14(10-12)21-7-5-20(6-8-21)4-3-11-9-15(22)19-16(11)23/h1-2,10-11H,3-9H2,(H,19,22,23)
InChIKeyBXXPVEIODZAGMI-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.17
Rot. Bonds4

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

3-[2-[4-(2,5-dichlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 173255861) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 3-[2-[4-(2,5-dichlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[2-[4-(2,5-dichlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID173255861
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name3-[2-[4-(2,5-dichlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CC(CCN2CCN(c3cc(Cl)ccc3Cl)CC2)C(=O)N1
InChIInChI=1S/C16H19Cl2N3O2/c17-12-1-2-13(18)14(10-12)21-7-5-20(6-8-21)4-3-11-9-15(22)19-16(11)23/h1-2,10-11H,3-9H2,(H,19,22,23)
InChIKeyBXXPVEIODZAGMI-UHFFFAOYSA-N
XLogP2.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.17
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

N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112066
1-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethyl}-4-ethyl-4-methyl-piperidine-2,6-dione
CID 9822942
8-[2-({2-[(2,5-Dichloro-phenyl)-methyl-amino]-ethyl}-methyl-amino)-ethyl]-8-aza-spiro[4.5]decane-7,9-dione
CID 9867138
1-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethyl}-pyrrolidine-2,5-dione
CID 9906677
2-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethyl}-2-aza-spiro[4.4]nonane-1,3-dione
CID 9909471
1-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethyl}-piperidine-2,6-dione
CID 9929277
N-(3-chloro-4-(4-ethylpiperazin-1-yl)phenyl)-3-cyclopentylpropanamide
CID 24882532
N-(2-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3436530
1-cyclohexyl-N-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 534606
1'-{2-[(2,5-Dichlorophenyl)amino]-2-oxoethyl}-1,4'-bipiperidine-4'-carboxamide
CID 1962695
N-[3-chloro-4-(4-ethyl-1-piperazinyl)phenyl]hexanamide
CID 2066745
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2,2-dimethylpropanamide
CID 3161423

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2,5-dichlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[2-[4-(2,5-dichlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 173255861) is 3-[2-[4-(2,5-dichlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[2-[4-(2,5-dichlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[2-[4-(2,5-dichlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is O=C1CC(CCN2CCN(c3cc(Cl)ccc3Cl)CC2)C(=O)N1.
What is the InChIKey of 3-[2-[4-(2,5-dichlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is BXXPVEIODZAGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c17-12-1-2-13(18)14(10-12)21-7-5-20(6-8-21)4-3-11-9-15(22)19-16(11)23/h1-2,10-11H,3-9H2,(H,19,22,23).
What are the key properties of 3-[2-[4-(2,5-dichlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
3-[2-[4-(2,5-dichlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 356.25 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2,5-dichlorophenyl)piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 173255861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).