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

C14H19F3N2O2 — CID 64885771

IUPAC3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)C(C)(C2CC2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C14H19F3N2O2/c1-12(8-3-4-8)11(21)19(7-14(15,16)17)13(2,9-5-6-9)10(20)18-12/h8-9H,3-7H2,1-2H3,(H,18,20)
InChIKeyDVHOSYVPYKJIIL-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.84
Rot. Bonds3

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

3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione (PubChem CID 64885771) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
PubChem CID64885771
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
SMILESCC1(C2CC2)NC(=O)C(C)(C2CC2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C14H19F3N2O2/c1-12(8-3-4-8)11(21)19(7-14(15,16)17)13(2,9-5-6-9)10(20)18-12/h8-9H,3-7H2,1-2H3,(H,18,20)
InChIKeyDVHOSYVPYKJIIL-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The IUPAC name of 3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione (CID 64885771) is 3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione is CC1(C2CC2)NC(=O)C(C)(C2CC2)N(CC(F)(F)F)C1=O.
What is the InChIKey of 3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The InChIKey is DVHOSYVPYKJIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-12(8-3-4-8)11(21)19(7-14(15,16)17)13(2,9-5-6-9)10(20)18-12/h8-9H,3-7H2,1-2H3,(H,18,20).
What are the key properties of 3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione has a molecular weight of 304.31 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 3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione is sourced from PubChem (CID 64885771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).