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

C13H17F3N2O2 — CID 64885640

IUPAC3,6-dicyclopropyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(CCC(F)(F)F)C1C1CC1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)5-6-18-10(8-3-4-8)11(19)17-9(12(18)20)7-1-2-7/h7-10H,1-6H2,(H,17,19)
InChIKeyCLEMZMBPTBTRPP-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.45
Rot. Bonds4

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

3,6-dicyclopropyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione (PubChem CID 64885640) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3,6-dicyclopropyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dicyclopropyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
PubChem CID64885640
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name3,6-dicyclopropyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(CCC(F)(F)F)C1C1CC1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)5-6-18-10(8-3-4-8)11(19)17-9(12(18)20)7-1-2-7/h7-10H,1-6H2,(H,17,19)
InChIKeyCLEMZMBPTBTRPP-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.45
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-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The IUPAC name of 3,6-dicyclopropyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione (CID 64885640) is 3,6-dicyclopropyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-dicyclopropyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-dicyclopropyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione is O=C1NC(C2CC2)C(=O)N(CCC(F)(F)F)C1C1CC1.
What is the InChIKey of 3,6-dicyclopropyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The InChIKey is CLEMZMBPTBTRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)5-6-18-10(8-3-4-8)11(19)17-9(12(18)20)7-1-2-7/h7-10H,1-6H2,(H,17,19).
What are the key properties of 3,6-dicyclopropyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
3,6-dicyclopropyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione has a molecular weight of 290.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dicyclopropyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione is sourced from PubChem (CID 64885640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).