1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione

C11H11FN2O2 — CID 117026431

IUPAC1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione
SMILESCN1CCN(c2cccc(F)c2)C(=O)C1=O
InChIInChI=1S/C11H11FN2O2/c1-13-5-6-14(11(16)10(13)15)9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3
InChIKeyYGUBLCSZGZJWER-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.63
Rot. Bonds1

About 1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione

1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione (PubChem CID 117026431) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione
PubChem CID117026431
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione
SMILESCN1CCN(c2cccc(F)c2)C(=O)C1=O
InChIInChI=1S/C11H11FN2O2/c1-13-5-6-14(11(16)10(13)15)9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3
InChIKeyYGUBLCSZGZJWER-UHFFFAOYSA-N
XLogP0.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione
CID 167998872
3-[3-(4-methyl-2,3-dioxopiperazin-1-yl)phenyl]propanal
CID 117404708
1-(4-aminosulfanylphenyl)-3-(3-fluorophenyl)imidazolidin-2-one
CID 145225860
1-(3-fluorophenyl)piperidine-2,4-dione
CID 79515239
(3R)-1-(3-fluorophenyl)-3-methyl-4-prop-2-enylpiperazin-2-one
CID 93114266
1-(3-fluorophenyl)-4-[(4-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 24715881
1-(3-fluorophenyl)-4-methyl-1,5-diazocan-2-one
CID 117015126
1-(3-fluorophenyl)-3-(1,2,2-trifluoroethyl)pyrrolidin-2-one
CID 175473804
2-[3-(3-fluorophenyl)-2-oxoimidazolidin-1-yl]acetaldehyde
CID 84788522
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
3-(3-fluorophenyl)-2-oxoimidazolidine-1-carbohydrazide
CID 143768763
(3S)-1-(3-fluorophenyl)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 93323615

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione?
The IUPAC name of 1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione (CID 117026431) is 1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione.
What is the SMILES notation for 1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione?
The canonical SMILES for 1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione is CN1CCN(c2cccc(F)c2)C(=O)C1=O.
What is the InChIKey of 1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione?
The InChIKey is YGUBLCSZGZJWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-13-5-6-14(11(16)10(13)15)9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione?
1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione has a molecular weight of 222.22 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-methylpiperazine-2,3-dione is sourced from PubChem (CID 117026431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).