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

C22H24FN3O3 — CID 2866565

IUPAC1-(3-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCCOc1cccc(N2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)c1
InChIInChI=1S/C22H24FN3O3/c1-2-29-19-5-3-4-18(14-19)26-21(27)15-20(22(26)28)25-12-10-24(11-13-25)17-8-6-16(23)7-9-17/h3-9,14,20H,2,10-13,15H2,1H3
InChIKeyIGWSTOBADNAJJM-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.68
Rot. Bonds5

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

1-(3-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 2866565) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID2866565
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name1-(3-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
SMILESCCOc1cccc(N2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)c1
InChIInChI=1S/C22H24FN3O3/c1-2-29-19-5-3-4-18(14-19)26-21(27)15-20(22(26)28)25-12-10-24(11-13-25)17-8-6-16(23)7-9-17/h3-9,14,20H,2,10-13,15H2,1H3
InChIKeyIGWSTOBADNAJJM-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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Related Compounds

1-(2-Ethoxy-phenyl)-3-(hydroxy-phenyl-amino)-pyrrolidine-2,5-dione
CID 2856113
2,5-Pyrrolidinedione, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-
CID 2732613
3-(N-hydroxyanilino)-1-(2-propoxyphenyl)pyrrolidine-2,5-dione
CID 2859218
1-Ethyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2950914
N-(4-fluorophenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964350
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 663585
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 861149
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 1342622
1-(4-Methoxyphenyl)-3-(morpholin-4-yl)pyrrolidine-2,5-dione
CID 2732615
3-[Benzyl(methyl)amino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2839652
1-[1-(3-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2884054
1-[1-(3-Methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2937059

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(3-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione (CID 2866565) is 1-(3-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione is CCOc1cccc(N2C(=O)CC(N3CCN(c4ccc(F)cc4)CC3)C2=O)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is IGWSTOBADNAJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-2-29-19-5-3-4-18(14-19)26-21(27)15-20(22(26)28)25-12-10-24(11-13-25)17-8-6-16(23)7-9-17/h3-9,14,20H,2,10-13,15H2,1H3.
What are the key properties of 1-(3-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione?
1-(3-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-(3-ethoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 2866565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).