1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione

C15H17FN2O3 — CID 62016943

IUPAC1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione
SMILESCCN1CCN(CC(=O)Cc2ccccc2F)C(=O)C1=O
InChIInChI=1S/C15H17FN2O3/c1-2-17-7-8-18(15(21)14(17)20)10-12(19)9-11-5-3-4-6-13(11)16/h3-6H,2,7-10H2,1H3
InChIKeyJQOBPFQRSAAYEB-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.63
Rot. Bonds5

About 1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione

1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione (PubChem CID 62016943) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione
PubChem CID62016943
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione
SMILESCCN1CCN(CC(=O)Cc2ccccc2F)C(=O)C1=O
InChIInChI=1S/C15H17FN2O3/c1-2-17-7-8-18(15(21)14(17)20)10-12(19)9-11-5-3-4-6-13(11)16/h3-6H,2,7-10H2,1H3
InChIKeyJQOBPFQRSAAYEB-UHFFFAOYSA-N
XLogP0.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7190160
1-ethyl-4-[2-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]piperazine-2,3-dione
CID 97268997
1-(2-fluorophenyl)-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-2-one
CID 102744775
N-[(2-chlorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 7190221
1-(2-fluorophenyl)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-one
CID 106836569
1-[2-(2,4-difluorophenyl)-2-oxoethyl]-4-ethylpiperazine-2,3-dione
CID 62017862
3-[3-(2-fluorophenyl)-2-oxopropyl]-4,5-dimethyl-1,3-thiazol-2-one
CID 55204651
N-[(2-chlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 60546030
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-methylacetamide
CID 46490768
1-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-(2-fluorophenyl)propan-2-one
CID 62023801
1-(2-fluorophenyl)-3-(3,4,5-trimethylpiperazin-1-yl)propan-2-one
CID 114538567

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione?
The IUPAC name of 1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione (CID 62016943) is 1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione.
What is the SMILES notation for 1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione?
The canonical SMILES for 1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione is CCN1CCN(CC(=O)Cc2ccccc2F)C(=O)C1=O.
What is the InChIKey of 1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione?
The InChIKey is JQOBPFQRSAAYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c1-2-17-7-8-18(15(21)14(17)20)10-12(19)9-11-5-3-4-6-13(11)16/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione?
1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione has a molecular weight of 292.31 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[3-(2-fluorophenyl)-2-oxopropyl]piperazine-2,3-dione is sourced from PubChem (CID 62016943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).