1-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione

C22H24FN3O3 — CID 2833551

IUPAC1-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1
InChIInChI=1S/C22H24FN3O3/c1-2-29-19-9-7-18(8-10-19)26-21(27)15-20(22(26)28)25-13-11-24(12-14-25)17-5-3-16(23)4-6-17/h3-10,20H,2,11-15H2,1H3
InChIKeyUMPSYXKQERCAFQ-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.68
Rot. Bonds5

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

1-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2833551) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2833551
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name1-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1
InChIInChI=1S/C22H24FN3O3/c1-2-29-19-9-7-18(8-10-19)26-21(27)15-20(22(26)28)25-13-11-24(12-14-25)17-5-3-16(23)4-6-17/h3-10,20H,2,11-15H2,1H3
InChIKeyUMPSYXKQERCAFQ-UHFFFAOYSA-N
XLogP2.68
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 2833551) is 1-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is UMPSYXKQERCAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-2-29-19-9-7-18(8-10-19)26-21(27)15-20(22(26)28)25-13-11-24(12-14-25)17-5-3-16(23)4-6-17/h3-10,20H,2,11-15H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
1-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 397.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2833551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).