1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione

C13H15FN2O3 — CID 104795317

IUPAC1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCOc1cccc(CN2CC(=O)NC(C)C2=O)c1F
InChIInChI=1S/C13H15FN2O3/c1-8-13(18)16(7-11(17)15-8)6-9-4-3-5-10(19-2)12(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,17)
InChIKeyHXESYILUMZHVGR-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.68
Rot. Bonds3

About 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione

1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione (PubChem CID 104795317) 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-2,5-dione.

Molecular Properties

Compound Name1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
PubChem CID104795317
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
SMILESCOc1cccc(CN2CC(=O)NC(C)C2=O)c1F
InChIInChI=1S/C13H15FN2O3/c1-8-13(18)16(7-11(17)15-8)6-9-4-3-5-10(19-2)12(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,17)
InChIKeyHXESYILUMZHVGR-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
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 ≤ 103

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64880729
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,6-dione
CID 104794567
1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64878854
1-[2-(2-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
CID 64956982
1-[(2-fluoro-3-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337659
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64880150
(3S,4R)-1-[(2-fluoro-3-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 104794531
4-chloro-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidine
CID 104794846
1-(4-fluoro-2-methoxyphenyl)-3-methylpiperazine-2,5-dione
CID 64966580
1-[(2,5-difluorophenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64884738
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine
CID 83811098
6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione
CID 104795313

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione (CID 104795317) is 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione is COc1cccc(CN2CC(=O)NC(C)C2=O)c1F.
What is the InChIKey of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione?
The InChIKey is HXESYILUMZHVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-8-13(18)16(7-11(17)15-8)6-9-4-3-5-10(19-2)12(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,17).
What are the key properties of 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione?
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione has a molecular weight of 266.27 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 104795317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).