3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione

C16H20ClN3O2 — CID 3054071

IUPAC3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(Cl)cc2)C(=O)N1CCN1CCNCC1
InChIInChI=1S/C16H20ClN3O2/c17-13-3-1-12(2-4-13)14-11-15(21)20(16(14)22)10-9-19-7-5-18-6-8-19/h1-4,14,18H,5-11H2
InChIKeyDKDLCMGKGQNDRM-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.09
Rot. Bonds4

About 3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione

3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione (PubChem CID 3054071) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione
PubChem CID3054071
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione
SMILESO=C1CC(c2ccc(Cl)cc2)C(=O)N1CCN1CCNCC1
InChIInChI=1S/C16H20ClN3O2/c17-13-3-1-12(2-4-13)14-11-15(21)20(16(14)22)10-9-19-7-5-18-6-8-19/h1-4,14,18H,5-11H2
InChIKeyDKDLCMGKGQNDRM-UHFFFAOYSA-N
XLogP1.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione (CID 3054071) is 3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione is O=C1CC(c2ccc(Cl)cc2)C(=O)N1CCN1CCNCC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione?
The InChIKey is DKDLCMGKGQNDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c17-13-3-1-12(2-4-13)14-11-15(21)20(16(14)22)10-9-19-7-5-18-6-8-19/h1-4,14,18H,5-11H2.
What are the key properties of 3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione?
3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione has a molecular weight of 321.81 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-(2-piperazin-1-ylethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3054071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).