3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione

C16H20FN3O2 — CID 2877280

IUPAC3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESCCN1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C16H20FN3O2/c1-2-18-7-9-19(10-8-18)14-11-15(21)20(16(14)22)13-5-3-12(17)4-6-13/h3-6,14H,2,7-11H2,1H3
InChIKeyLWFIXLRXGPSJDR-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.10
Rot. Bonds3

About 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione

3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 2877280) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID2877280
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione
SMILESCCN1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C16H20FN3O2/c1-2-18-7-9-19(10-8-18)14-11-15(21)20(16(14)22)13-5-3-12(17)4-6-13/h3-6,14H,2,7-11H2,1H3
InChIKeyLWFIXLRXGPSJDR-UHFFFAOYSA-N
XLogP1.10
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.10
H-Bond Donors ≤ 50
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-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione (CID 2877280) is 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione is CCN1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is LWFIXLRXGPSJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-2-18-7-9-19(10-8-18)14-11-15(21)20(16(14)22)13-5-3-12(17)4-6-13/h3-6,14H,2,7-11H2,1H3.
What are the key properties of 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione?
3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 305.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)-1-(4-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2877280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).