4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione

C14H15FN2O4 — CID 66062364

IUPAC4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione
SMILESCOc1ccc(C(=O)CN2CC(=O)NC(=O)C2C)cc1F
InChIInChI=1S/C14H15FN2O4/c1-8-14(20)16-13(19)7-17(8)6-11(18)9-3-4-12(21-2)10(15)5-9/h3-5,8H,6-7H2,1-2H3,(H,16,19,20)
InChIKeyDKGFUTPQTXLFCT-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.36
Rot. Bonds4

About 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione

4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione (PubChem CID 66062364) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione
PubChem CID66062364
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione
SMILESCOc1ccc(C(=O)CN2CC(=O)NC(=O)C2C)cc1F
InChIInChI=1S/C14H15FN2O4/c1-8-14(20)16-13(19)7-17(8)6-11(18)9-3-4-12(21-2)10(15)5-9/h3-5,8H,6-7H2,1-2H3,(H,16,19,20)
InChIKeyDKGFUTPQTXLFCT-UHFFFAOYSA-N
XLogP0.36
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-[2-(4-methylsulfanylphenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66061399
4-[(5-acetyl-2-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
CID 66062368
2-(2-ethylpiperidin-1-yl)-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 43227568
1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 62023747
1-(3-fluoro-4-methoxyphenyl)-2-thiomorpholin-4-ylethanone
CID 62052732
1-ethyl-3-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7549299
1-(3-fluoro-4-methoxyphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62023135
1-(3-fluoro-4-methoxyphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62972902
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 8607595
1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 8607614
1-(3-fluoro-4-methoxyphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597987

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione (CID 66062364) is 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione is COc1ccc(C(=O)CN2CC(=O)NC(=O)C2C)cc1F.
What is the InChIKey of 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione?
The InChIKey is DKGFUTPQTXLFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-8-14(20)16-13(19)7-17(8)6-11(18)9-3-4-12(21-2)10(15)5-9/h3-5,8H,6-7H2,1-2H3,(H,16,19,20).
What are the key properties of 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione?
4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione has a molecular weight of 294.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66062364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).