3,6-dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione

C12H15F3N2O2 — CID 64886391

IUPAC3,6-dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(CC(F)(F)F)C1C1CC1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)5-17-9(7-3-4-7)10(18)16-8(11(17)19)6-1-2-6/h6-9H,1-5H2,(H,16,18)
InChIKeyYVBHZDKIJAQTFG-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.06
Rot. Bonds3

About 3,6-dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione

3,6-dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione (PubChem CID 64886391) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3,6-dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
PubChem CID64886391
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name3,6-dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(CC(F)(F)F)C1C1CC1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)5-17-9(7-3-4-7)10(18)16-8(11(17)19)6-1-2-6/h6-9H,1-5H2,(H,16,18)
InChIKeyYVBHZDKIJAQTFG-UHFFFAOYSA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The IUPAC name of 3,6-dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione (CID 64886391) is 3,6-dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione is O=C1NC(C2CC2)C(=O)N(CC(F)(F)F)C1C1CC1.
What is the InChIKey of 3,6-dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The InChIKey is YVBHZDKIJAQTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)5-17-9(7-3-4-7)10(18)16-8(11(17)19)6-1-2-6/h6-9H,1-5H2,(H,16,18).
What are the key properties of 3,6-dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
3,6-dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione has a molecular weight of 276.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dicyclopropyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione is sourced from PubChem (CID 64886391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).