1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione

C13H13F3N2O2 — CID 146160440

IUPAC1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione
SMILESO=C1CN(Cc2ccccc2)C(=O)C(CC(F)(F)F)N1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)6-10-12(20)18(8-11(19)17-10)7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,17,19)
InChIKeyRLIJPASJDQHBDG-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.47
Rot. Bonds3

About 1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione

1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione (PubChem CID 146160440) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione
PubChem CID146160440
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione
SMILESO=C1CN(Cc2ccccc2)C(=O)C(CC(F)(F)F)N1
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)6-10-12(20)18(8-11(19)17-10)7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,17,19)
InChIKeyRLIJPASJDQHBDG-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione
CID 20794518
1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 59324773
1-benzyl-3-phenylpiperazine-2,5-dione
CID 20794522
(3S)-1-benzyl-3-(naphthalen-1-ylmethyl)piperazine-2,5-dione
CID 66825008
benzyl 3-(4-benzyl-3,6-dioxopiperazin-2-yl)propanoate
CID 123664935
1-[(4-chlorophenyl)methyl]-3-ethylpiperazine-2,5-dione
CID 64879991
1-[(4-chlorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64880938
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperazine-2,5-dione
CID 64881381
(3S)-1-benzyl-3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]piperazine-2,5-dione
CID 144921221
(3S)-1-benzyl-3-(2-methylpropyl)piperazine;(3S)-1-benzyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 162087716
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine-2,5-dione
CID 64879994
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64880159

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The IUPAC name of 1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione (CID 146160440) is 1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The canonical SMILES for 1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione is O=C1CN(Cc2ccccc2)C(=O)C(CC(F)(F)F)N1.
What is the InChIKey of 1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The InChIKey is RLIJPASJDQHBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c14-13(15,16)6-10-12(20)18(8-11(19)17-10)7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,17,19).
What are the key properties of 1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione has a molecular weight of 286.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione is sourced from PubChem (CID 146160440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).