4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione

C12H11FN2O3 — CID 66083375

IUPAC4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione
SMILESO=C1CN(CC(=O)c2cccc(F)c2)CC(=O)N1
InChIInChI=1S/C12H11FN2O3/c13-9-3-1-2-8(4-9)10(16)5-15-6-11(17)14-12(18)7-15/h1-4H,5-7H2,(H,14,17,18)
InChIKeyCDUGVMSPQYZQCX-UHFFFAOYSA-N
MW250.23 g/mol
LogP-0.03
Rot. Bonds3

About 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione

4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione (PubChem CID 66083375) has the molecular formula C12H11FN2O3 and a molecular weight of 250.23 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione
PubChem CID66083375
Molecular FormulaC12H11FN2O3
Molecular Weight250.23 g/mol
Exact Mass250.08
IUPAC Name4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione
SMILESO=C1CN(CC(=O)c2cccc(F)c2)CC(=O)N1
InChIInChI=1S/C12H11FN2O3/c13-9-3-1-2-8(4-9)10(16)5-15-6-11(17)14-12(18)7-15/h1-4H,5-7H2,(H,14,17,18)
InChIKeyCDUGVMSPQYZQCX-UHFFFAOYSA-N
XLogP-0.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 60680435
4-[2-(4-iodophenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66083973
1-(3-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024778
2-[4-(dimethylamino)piperidin-1-yl]-1-(3-fluorophenyl)ethanone
CID 43797315
2-[(3aR,6aS)-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(3-fluorophenyl)ethanone;benzene
CID 144818766
4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione
CID 63789963
3-(1,3-dihydroisoindol-2-yl)-1-(3-fluorophenyl)propan-1-one
CID 62619215
3-bromo-1-[2-(3-fluorophenyl)-2-oxoethyl]pyridin-2-one
CID 114760623
1-[2-(3-fluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62023260
4-[2-(3-fluorophenyl)-2-oxoethyl]morpholin-3-one
CID 79468395
4-(3-fluorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 3159804
3-[2-(3-fluorophenyl)-2-oxoethyl]-1,3-thiazinane-2,4-dione
CID 113382313

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione (CID 66083375) is 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione is O=C1CN(CC(=O)c2cccc(F)c2)CC(=O)N1.
What is the InChIKey of 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione?
The InChIKey is CDUGVMSPQYZQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3/c13-9-3-1-2-8(4-9)10(16)5-15-6-11(17)14-12(18)7-15/h1-4H,5-7H2,(H,14,17,18).
What are the key properties of 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione?
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione has a molecular weight of 250.23 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione is sourced from PubChem (CID 66083375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).