6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione

C13H19F3N2O2 — CID 106211013

IUPAC6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O2/c1-4-8-10(19)17-9(7(2)3)11(20)18(8)12(5-6-12)13(14,15)16/h7-9H,4-6H2,1-3H3,(H,17,19)
InChIKeyXDYUVSDFXXNTEF-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.84
Rot. Bonds3

About 6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione

6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione (PubChem CID 106211013) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
PubChem CID106211013
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C(C)C)C(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O2/c1-4-8-10(19)17-9(7(2)3)11(20)18(8)12(5-6-12)13(14,15)16/h7-9H,4-6H2,1-3H3,(H,17,19)
InChIKeyXDYUVSDFXXNTEF-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106210920
3,3,6-triethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106210995
1-cyclobutyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64969387
1-cycloheptyl-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64960299
6-ethyl-1-(4-ethylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64964865
6-ethyl-1-[(2-methylcyclopropyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 113464219
1-(2,6-difluorophenyl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64959896
6-ethyl-1-(3-fluoro-4-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64958396
1-(1-azabicyclo[2.2.2]octan-3-yl)-6-ethyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958000
3-butan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
CID 106211030
6-ethyl-1-(2-methylpentyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64872873
6-ethyl-1-[(2-methylcyclohexyl)methyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64967164

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione (CID 106211013) is 6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione is CCC1C(=O)NC(C(C)C)C(=O)N1C1(C(F)(F)F)CC1.
What is the InChIKey of 6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
The InChIKey is XDYUVSDFXXNTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-4-8-10(19)17-9(7(2)3)11(20)18(8)12(5-6-12)13(14,15)16/h7-9H,4-6H2,1-3H3,(H,17,19).
What are the key properties of 6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione has a molecular weight of 292.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-propan-2-yl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione is sourced from PubChem (CID 106211013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).