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

C13H17F3N2O2 — CID 106210920

IUPAC3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N2O2/c1-2-8-10(19)17-9(7-3-4-7)11(20)18(8)12(5-6-12)13(14,15)16/h7-9H,2-6H2,1H3,(H,17,19)
InChIKeyNYCCMZDPPFXBHG-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.60
Rot. Bonds3

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

3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione (PubChem CID 106210920) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
PubChem CID106210920
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione
SMILESCCC1C(=O)NC(C2CC2)C(=O)N1C1(C(F)(F)F)CC1
InChIInChI=1S/C13H17F3N2O2/c1-2-8-10(19)17-9(7-3-4-7)11(20)18(8)12(5-6-12)13(14,15)16/h7-9H,2-6H2,1H3,(H,17,19)
InChIKeyNYCCMZDPPFXBHG-UHFFFAOYSA-N
XLogP1.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione (CID 106210920) is 3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione is CCC1C(=O)NC(C2CC2)C(=O)N1C1(C(F)(F)F)CC1.
What is the InChIKey of 3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
The InChIKey is NYCCMZDPPFXBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-2-8-10(19)17-9(7-3-4-7)11(20)18(8)12(5-6-12)13(14,15)16/h7-9H,2-6H2,1H3,(H,17,19).
What are the key properties of 3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione?
3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione has a molecular weight of 290.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-1-[1-(trifluoromethyl)cyclopropyl]piperazine-2,5-dione is sourced from PubChem (CID 106210920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).