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

C13H15F2N3O2 — CID 107522881

IUPAC1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CC(N)c2ccc(F)cc2F)CC1=O
InChIInChI=1S/C13H15F2N3O2/c1-17-6-13(20)18(7-12(17)19)5-11(16)9-3-2-8(14)4-10(9)15/h2-4,11H,5-7,16H2,1H3
InChIKeyJCHPSYNBOGOGGJ-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.27
Rot. Bonds3

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

1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione (PubChem CID 107522881) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
PubChem CID107522881
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(CC(N)c2ccc(F)cc2F)CC1=O
InChIInChI=1S/C13H15F2N3O2/c1-17-6-13(20)18(7-12(17)19)5-11(16)9-3-2-8(14)4-10(9)15/h2-4,11H,5-7,16H2,1H3
InChIKeyJCHPSYNBOGOGGJ-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

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Related Compounds

1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione
CID 107522884
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-5-methylazepan-2-one
CID 107522728
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-propylpyrrolidin-2-one
CID 107523045
1-(2,4-difluorophenyl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 16785018
1-[2-amino-2-(2,4-difluorophenyl)ethyl]-3-methylpyridin-2-one
CID 107522608
(1R)-1-(2,4-difluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171199037
(2,4-difluorophenyl)methanediamine
CID 116939170
1-[2-amino-2-(2,5-difluorophenyl)ethyl]-4-propan-2-ylpyrrolidin-2-one
CID 107523061
(2R)-2-amino-2-(2,4-difluorophenyl)ethanol;hydrochloride
CID 67034313
(1S)-1-(2,4-difluorophenyl)but-3-en-1-amine
CID 95009988
(1S)-1-(2,4-difluorophenyl)-4-methylpentan-1-amine
CID 28780270
1-[2-(2,4-dimethylphenyl)-2-(methylamino)ethyl]-4-methylpiperazine-2,5-dione
CID 79936977

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione?
The IUPAC name of 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione (CID 107522881) is 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione is CN1CC(=O)N(CC(N)c2ccc(F)cc2F)CC1=O.
What is the InChIKey of 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione?
The InChIKey is JCHPSYNBOGOGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-17-6-13(20)18(7-12(17)19)5-11(16)9-3-2-8(14)4-10(9)15/h2-4,11H,5-7,16H2,1H3.
What are the key properties of 1-[2-amino-2-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione?
1-[2-amino-2-(2,4-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-(2,4-difluorophenyl)ethyl]-4-methylpiperazine-2,5-dione is sourced from PubChem (CID 107522881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).