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

C14H23F3N2O2 — CID 64887514

IUPAC3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)(CC)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C14H23F3N2O2/c1-5-12(4)10(20)18-13(6-2,7-3)11(21)19(12)9-8-14(15,16)17/h5-9H2,1-4H3,(H,18,20)
InChIKeyHWYZRIRUACSIAK-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.62
Rot. Bonds5

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

3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione (PubChem CID 64887514) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
PubChem CID64887514
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
SMILESCCC1(CC)NC(=O)C(C)(CC)N(CCC(F)(F)F)C1=O
InChIInChI=1S/C14H23F3N2O2/c1-5-12(4)10(20)18-13(6-2,7-3)11(21)19(12)9-8-14(15,16)17/h5-9H2,1-4H3,(H,18,20)
InChIKeyHWYZRIRUACSIAK-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-ethyl-8-methyl-9-(3,3,3-trifluoropropyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64884941
3,3,6,6-tetramethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64902187
3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64887340
6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione
CID 64903530
3,3,6,6-tetraethyl-1-(2-fluoroethyl)piperazine-2,5-dione
CID 80697160
6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione
CID 81110148
3,3-diethyl-1-(2-ethylsulfonylethyl)-6,6-dimethylpiperazine-2,5-dione
CID 106733620
3,3-dimethyl-4-(3,3,3-trifluoropropyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64885733
5,5-dimethyl-1-(3,3,3-trifluoropropyl)-1,3-diazinane-2,4,6-trione
CID 112600572
3,3-diethyl-1-propyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64887515
3,3,6-triethyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888908
6-cyclopropyl-1-(2,2-difluoroethyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64884840

Frequently Asked Questions

What is the IUPAC name of 3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The IUPAC name of 3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione (CID 64887514) is 3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione.
What is the SMILES notation for 3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The canonical SMILES for 3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione is CCC1(CC)NC(=O)C(C)(CC)N(CCC(F)(F)F)C1=O.
What is the InChIKey of 3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
The InChIKey is HWYZRIRUACSIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-5-12(4)10(20)18-13(6-2,7-3)11(21)19(12)9-8-14(15,16)17/h5-9H2,1-4H3,(H,18,20).
What are the key properties of 3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione?
3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione has a molecular weight of 308.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-triethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione is sourced from PubChem (CID 64887514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).