3,6-dicyclopropyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione

C14H19F3N2O2 — CID 115519416

IUPAC3,6-dicyclopropyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(CCCC(F)(F)F)C1C1CC1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)6-1-7-19-11(9-4-5-9)12(20)18-10(13(19)21)8-2-3-8/h8-11H,1-7H2,(H,18,20)
InChIKeyQATRMKCHBSVEDB-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.84
Rot. Bonds5

About 3,6-dicyclopropyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione

3,6-dicyclopropyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione (PubChem CID 115519416) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3,6-dicyclopropyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dicyclopropyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
PubChem CID115519416
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name3,6-dicyclopropyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
SMILESO=C1NC(C2CC2)C(=O)N(CCCC(F)(F)F)C1C1CC1
InChIInChI=1S/C14H19F3N2O2/c15-14(16,17)6-1-7-19-11(9-4-5-9)12(20)18-10(13(19)21)8-2-3-8/h8-11H,1-7H2,(H,18,20)
InChIKeyQATRMKCHBSVEDB-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.84
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-(4,4,4-trifluorobutyl)piperazine-2,5-dione?
The IUPAC name of 3,6-dicyclopropyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione (CID 115519416) is 3,6-dicyclopropyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-dicyclopropyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-dicyclopropyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione is O=C1NC(C2CC2)C(=O)N(CCCC(F)(F)F)C1C1CC1.
What is the InChIKey of 3,6-dicyclopropyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione?
The InChIKey is QATRMKCHBSVEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c15-14(16,17)6-1-7-19-11(9-4-5-9)12(20)18-10(13(19)21)8-2-3-8/h8-11H,1-7H2,(H,18,20).
What are the key properties of 3,6-dicyclopropyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione?
3,6-dicyclopropyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione has a molecular weight of 304.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dicyclopropyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione is sourced from PubChem (CID 115519416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).