1-[(2-fluorophenyl)methyl]piperazine-2,3-dione

C11H11FN2O2 — CID 56731477

IUPAC1-[(2-fluorophenyl)methyl]piperazine-2,3-dione
SMILESO=C1NCCN(Cc2ccccc2F)C1=O
InChIInChI=1S/C11H11FN2O2/c12-9-4-2-1-3-8(9)7-14-6-5-13-10(15)11(14)16/h1-4H,5-7H2,(H,13,15)
InChIKeyLJFIJZQGAVDVHQ-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.28
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]piperazine-2,3-dione

1-[(2-fluorophenyl)methyl]piperazine-2,3-dione (PubChem CID 56731477) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]piperazine-2,3-dione
PubChem CID56731477
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name1-[(2-fluorophenyl)methyl]piperazine-2,3-dione
SMILESO=C1NCCN(Cc2ccccc2F)C1=O
InChIInChI=1S/C11H11FN2O2/c12-9-4-2-1-3-8(9)7-14-6-5-13-10(15)11(14)16/h1-4H,5-7H2,(H,13,15)
InChIKeyLJFIJZQGAVDVHQ-UHFFFAOYSA-N
XLogP0.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2-fluorophenyl)methyl]piperazine-2,3-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

3-ethyl-1-[(2-fluorophenyl)methyl]piperazin-2-one
CID 55215575
6-fluoro-2-[(2-fluorophenyl)methyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one
CID 68598740
2-[(2-oxoimidazolidin-1-yl)methyl]benzoic acid
CID 83822306
(3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 42304508
2-[(2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one;hydrochloride
CID 45074394
1-benzyl-4-[(2-fluorophenyl)methyl]piperazin-2-one
CID 146080007
1-[(2-fluorophenyl)methyl]pyridin-2-one
CID 664770
1-[(2-fluorophenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168709502
4-chloro-1-[(2-fluorophenyl)methyl]pyrrolidin-2-one
CID 168688746
5-[(4-fluorophenyl)methoxy]-2-[(2-fluorophenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 2152142
ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 110283992
1-[(2-nitrophenyl)methyl]imidazolidin-2-one
CID 71758327

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]piperazine-2,3-dione?
The IUPAC name of 1-[(2-fluorophenyl)methyl]piperazine-2,3-dione (CID 56731477) is 1-[(2-fluorophenyl)methyl]piperazine-2,3-dione.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]piperazine-2,3-dione?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]piperazine-2,3-dione is O=C1NCCN(Cc2ccccc2F)C1=O.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]piperazine-2,3-dione?
The InChIKey is LJFIJZQGAVDVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-9-4-2-1-3-8(9)7-14-6-5-13-10(15)11(14)16/h1-4H,5-7H2,(H,13,15).
What are the key properties of 1-[(2-fluorophenyl)methyl]piperazine-2,3-dione?
1-[(2-fluorophenyl)methyl]piperazine-2,3-dione has a molecular weight of 222.22 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]piperazine-2,3-dione is sourced from PubChem (CID 56731477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).