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

C13H19F3N2O2 — CID 64887604

IUPAC6-cyclopropyl-3-ethyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)(C2CC2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C13H19F3N2O2/c1-4-11(2)10(20)18(7-13(14,15)16)12(3,8-5-6-8)9(19)17-11/h8H,4-7H2,1-3H3,(H,17,19)
InChIKeyPDOOUHRSKWKPIY-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.84
Rot. Bonds3

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

6-cyclopropyl-3-ethyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione (PubChem CID 64887604) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 6-cyclopropyl-3-ethyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3-ethyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
PubChem CID64887604
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name6-cyclopropyl-3-ethyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)(C2CC2)N(CC(F)(F)F)C1=O
InChIInChI=1S/C13H19F3N2O2/c1-4-11(2)10(20)18(7-13(14,15)16)12(3,8-5-6-8)9(19)17-11/h8H,4-7H2,1-3H3,(H,17,19)
InChIKeyPDOOUHRSKWKPIY-UHFFFAOYSA-N
XLogP1.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

3,6-dicyclopropyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64885771
6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione
CID 104650419
6-cyclopropyl-1-(2,2-difluoroethyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64884840
6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione
CID 81110148
1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64885387
8-cyclopropyl-9-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 81113254
6-cyclopropyl-3-ethyl-6-methyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519286
3,6-dicyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888901
6-cyclopropyl-3-ethyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64900730
3,6,6-triethyl-3-methyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64885686
6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 104650386
6-butyl-8-ethyl-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64886836

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-ethyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3-ethyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione (CID 64887604) is 6-cyclopropyl-3-ethyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3-ethyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3-ethyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione is CCC1(C)NC(=O)C(C)(C2CC2)N(CC(F)(F)F)C1=O.
What is the InChIKey of 6-cyclopropyl-3-ethyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
The InChIKey is PDOOUHRSKWKPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-4-11(2)10(20)18(7-13(14,15)16)12(3,8-5-6-8)9(19)17-11/h8H,4-7H2,1-3H3,(H,17,19).
What are the key properties of 6-cyclopropyl-3-ethyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione?
6-cyclopropyl-3-ethyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione has a molecular weight of 292.30 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 6-cyclopropyl-3-ethyl-3,6-dimethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione is sourced from PubChem (CID 64887604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).