6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione

C14H23F3N2O2 — CID 115522571

IUPAC6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(CCCCC(F)(F)F)C1=O
InChIInChI=1S/C14H23F3N2O2/c1-3-7-10-13(21)19(11(4-2)12(20)18-10)9-6-5-8-14(15,16)17/h10-11H,3-9H2,1-2H3,(H,18,20)
InChIKeyJYTVJYJEBKOBEJ-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.62
Rot. Bonds7

About 6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione

6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione (PubChem CID 115522571) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
PubChem CID115522571
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(CCCCC(F)(F)F)C1=O
InChIInChI=1S/C14H23F3N2O2/c1-3-7-10-13(21)19(11(4-2)12(20)18-10)9-6-5-8-14(15,16)17/h10-11H,3-9H2,1-2H3,(H,18,20)
InChIKeyJYTVJYJEBKOBEJ-UHFFFAOYSA-N
XLogP2.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-1-hex-5-ynyl-3-propylpiperazine-2,5-dione
CID 106210830
6-ethyl-1-(2-methylsulfanylethyl)-3-propylpiperazine-2,5-dione
CID 64971608
1,3,6-tripropylpiperazine-2,5-dione
CID 64873955
1-(2-fluoroethyl)-3,6-dipropylpiperazine-2,5-dione
CID 80698187
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181
3-ethyl-1-(3-fluoropropyl)-6-propylpiperazine-2,5-dione
CID 81114569
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
CID 64901256
1-tert-butyl-6-ethyl-3-propylpiperazine-2,5-dione
CID 64955942
6-ethyl-3-propyl-1-(2-prop-2-ynylsulfanylethyl)piperazine-2,5-dione
CID 106432992
3-ethyl-2-(5,5,5-trifluoropentyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 115522563
6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627626

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione (CID 115522571) is 6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione is CCCC1NC(=O)C(CC)N(CCCCC(F)(F)F)C1=O.
What is the InChIKey of 6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione?
The InChIKey is JYTVJYJEBKOBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-3-7-10-13(21)19(11(4-2)12(20)18-10)9-6-5-8-14(15,16)17/h10-11H,3-9H2,1-2H3,(H,18,20).
What are the key properties of 6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione?
6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione has a molecular weight of 308.34 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-propyl-1-(5,5,5-trifluoropentyl)piperazine-2,5-dione is sourced from PubChem (CID 115522571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).