1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione

C13H15FN2O3 — CID 104794567

IUPAC1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
SMILESCOc1cccc(CN2C(=O)CNC(C)C2=O)c1F
InChIInChI=1S/C13H15FN2O3/c1-8-13(18)16(11(17)6-15-8)7-9-4-3-5-10(19-2)12(9)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeyOLLGZMQOEBZGOV-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.68
Rot. Bonds3

About 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione

1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione (PubChem CID 104794567) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
PubChem CID104794567
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
SMILESCOc1cccc(CN2C(=O)CNC(C)C2=O)c1F
InChIInChI=1S/C13H15FN2O3/c1-8-13(18)16(11(17)6-15-8)7-9-4-3-5-10(19-2)12(9)14/h3-5,8,15H,6-7H2,1-2H3
InChIKeyOLLGZMQOEBZGOV-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-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

1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
CID 66075685
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 104795317
3-ethyl-1-[(2-methoxyphenyl)methyl]piperazine-2,6-dione
CID 66069576
2-[(2-fluoro-3-methoxyphenyl)methyl]isoindole-1,3-dione
CID 59479327
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098
6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione
CID 104795313
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methyl-1,4-diazepane
CID 113453941
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
1-[(2-fluoro-3-methoxyphenyl)methyl]azetidin-3-amine
CID 104792857
3-[(2-fluoro-3-methoxyphenyl)methylamino]-1-methylpiperidine-2,6-dione
CID 104791896
[1-[(2-fluoro-3-methoxyphenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 104792901
3-methyl-1-(3-phenylpropyl)piperazine-2,6-dione
CID 66075288

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione?
The IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione (CID 104794567) is 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione?
The canonical SMILES for 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione is COc1cccc(CN2C(=O)CNC(C)C2=O)c1F.
What is the InChIKey of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione?
The InChIKey is OLLGZMQOEBZGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8-13(18)16(11(17)6-15-8)7-9-4-3-5-10(19-2)12(9)14/h3-5,8,15H,6-7H2,1-2H3.
What are the key properties of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione?
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione has a molecular weight of 266.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 104794567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).