3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione

C25H26FN3O5 — CID 118756092

IUPAC3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)CC(CC(=O)N2CCN(c3ccccc3)C(=O)C2)(c2ccccc2F)C1=O
InChIInChI=1S/C25H26FN3O5/c1-34-14-13-29-22(31)16-25(24(29)33,19-9-5-6-10-20(19)26)15-21(30)27-11-12-28(23(32)17-27)18-7-3-2-4-8-18/h2-10H,11-17H2,1H3
InChIKeyHROWNZZZTNLIFL-UHFFFAOYSA-N
MW467.50 g/mol
LogP1.73
Rot. Bonds7

About 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione

3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 118756092) has the molecular formula C25H26FN3O5 and a molecular weight of 467.50 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID118756092
Molecular FormulaC25H26FN3O5
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)CC(CC(=O)N2CCN(c3ccccc3)C(=O)C2)(c2ccccc2F)C1=O
InChIInChI=1S/C25H26FN3O5/c1-34-14-13-29-22(31)16-25(24(29)33,19-9-5-6-10-20(19)26)15-21(30)27-11-12-28(23(32)17-27)18-7-3-2-4-8-18/h2-10H,11-17H2,1H3
InChIKeyHROWNZZZTNLIFL-UHFFFAOYSA-N
XLogP1.73
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 51.73
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 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione (CID 118756092) is 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione is COCCN1C(=O)CC(CC(=O)N2CCN(c3ccccc3)C(=O)C2)(c2ccccc2F)C1=O.
What is the InChIKey of 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is HROWNZZZTNLIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O5/c1-34-14-13-29-22(31)16-25(24(29)33,19-9-5-6-10-20(19)26)15-21(30)27-11-12-28(23(32)17-27)18-7-3-2-4-8-18/h2-10H,11-17H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione?
3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 467.50 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-1-(2-methoxyethyl)-3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 118756092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).