3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione

C13H19F3N2O2 — CID 64887340

IUPAC3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C2CC2)C(=O)N1CCC(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-3-12(2)11(20)17-9(8-4-5-8)10(19)18(12)7-6-13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,20)
InChIKeyUGHNNWDIVADSKO-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.84
Rot. Bonds4

About 3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione

3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione (PubChem CID 64887340) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
PubChem CID64887340
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C2CC2)C(=O)N1CCC(F)(F)F
InChIInChI=1S/C13H19F3N2O2/c1-3-12(2)11(20)17-9(8-4-5-8)10(19)18(12)7-6-13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,20)
InChIKeyUGHNNWDIVADSKO-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
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-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione (CID 64887340) is 3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione is CCC1(C)C(=O)NC(C2CC2)C(=O)N1CCC(F)(F)F.
What is the InChIKey of 3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The InChIKey is UGHNNWDIVADSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-3-12(2)11(20)17-9(8-4-5-8)10(19)18(12)7-6-13(14,15)16/h8-9H,3-7H2,1-2H3,(H,17,20).
What are the key properties of 3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione has a molecular weight of 292.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione is sourced from PubChem (CID 64887340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).