6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione

C15H28N2O2 — CID 64873285

IUPAC6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
SMILESCCCCC(CC)CN1C(=O)C(C)NC(=O)C1CC
InChIInChI=1S/C15H28N2O2/c1-5-8-9-12(6-2)10-17-13(7-3)14(18)16-11(4)15(17)19/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyJKOVUDJNPHYKGU-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.33
Rot. Bonds7

About 6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione

6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione (PubChem CID 64873285) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
PubChem CID64873285
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
SMILESCCCCC(CC)CN1C(=O)C(C)NC(=O)C1CC
InChIInChI=1S/C15H28N2O2/c1-5-8-9-12(6-2)10-17-13(7-3)14(18)16-11(4)15(17)19/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyJKOVUDJNPHYKGU-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64873494
6-tert-butyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
CID 64872557
6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione
CID 64874269
6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione
CID 102908625
6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione
CID 113484531
1-(2-ethylhexyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64872963
6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione
CID 82947001
3-cyclopropyl-1-(2-ethylhexyl)-3,6-dimethylpiperazine-2,5-dione
CID 64885751
6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64873287
1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione
CID 82934942
6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64873869
3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
CID 82934654

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione (CID 64873285) is 6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione is CCCCC(CC)CN1C(=O)C(C)NC(=O)C1CC.
What is the InChIKey of 6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione?
The InChIKey is JKOVUDJNPHYKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-5-8-9-12(6-2)10-17-13(7-3)14(18)16-11(4)15(17)19/h11-13H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione?
6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64873285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).