1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione

C13H15F2N3O2 — CID 107522884

IUPAC1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CC(N)c2cc(F)ccc2F)CC1=O
InChIInChI=1S/C13H15F2N3O2/c1-17-6-13(20)18(7-12(17)19)5-11(16)9-4-8(14)2-3-10(9)15/h2-4,11H,5-7,16H2,1H3
InChIKeyGJJMTAXSNGFCOP-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.27
Rot. Bonds3

About 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione

1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione (PubChem CID 107522884) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
PubChem CID107522884
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CC(N)c2cc(F)ccc2F)CC1=O
InChIInChI=1S/C13H15F2N3O2/c1-17-6-13(20)18(7-12(17)19)5-11(16)9-4-8(14)2-3-10(9)15/h2-4,11H,5-7,16H2,1H3
InChIKeyGJJMTAXSNGFCOP-UHFFFAOYSA-N
XLogP0.27
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-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-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
CID 107522881
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 107523061
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-3-propylimidazol-2-one
CID 107522950
1-(2,5-difluorophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 107522065
1-(2,5-difluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 107520830
2-[2-amino-2-(2,5-difluorophenyl)ethyl]-5-methylpyridazin-3-one
CID 107523246
3-[2-amino-2-(2,5-difluorophenyl)ethyl]-6-methylpyrimidin-4-one
CID 107522329
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-methylazepan-2-one
CID 107522728
2-(3,3-diethylpyrrolidin-1-yl)-1-(2,5-difluorophenyl)ethanamine
CID 107521756
1-(2,5-difluorophenyl)-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethanamine
CID 107522350
1-(2,5-difluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 107519852
(1R)-1-(2,5-difluorophenyl)butane-1,4-diamine
CID 171204237

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione (CID 107522884) is 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(CC(N)c2cc(F)ccc2F)CC1=O.
What is the InChIKey of 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione?
The InChIKey is GJJMTAXSNGFCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-17-6-13(20)18(7-12(17)19)5-11(16)9-4-8(14)2-3-10(9)15/h2-4,11H,5-7,16H2,1H3.
What are the key properties of 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione?
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione has a molecular weight of 283.28 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 107522884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).