3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione

C16H30N2O2 — CID 64965046

IUPAC3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione
SMILESCCCCCCC(C)N1C(=O)C(C)(CC)NC(=O)C1C
InChIInChI=1S/C16H30N2O2/c1-6-8-9-10-11-12(3)18-13(4)14(19)17-16(5,7-2)15(18)20/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyFKOKXQWFQINONO-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.86
Rot. Bonds7

About 3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione

3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione (PubChem CID 64965046) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione
PubChem CID64965046
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione
SMILESCCCCCCC(C)N1C(=O)C(C)(CC)NC(=O)C1C
InChIInChI=1S/C16H30N2O2/c1-6-8-9-10-11-12(3)18-13(4)14(19)17-16(5,7-2)15(18)20/h12-13H,6-11H2,1-5H3,(H,17,19)
InChIKeyFKOKXQWFQINONO-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.86
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

3,3-diethyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965106
3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione
CID 64964376
(5R)-5-ethyl-5-methyl-3-nonan-2-ylimidazolidine-2,4-dione
CID 134243919
3-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65053725
1-(1-cyclopropylbutan-2-yl)-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64971875
3-ethyl-3,6-dimethyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966440
3-ethyl-3,6-dimethyl-1-(1-pyridin-4-ylethyl)piperazine-2,5-dione
CID 64963066
8-methyl-9-pentan-2-yl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64957246
3-tert-butyl-6-methyl-1-octan-2-ylpiperazine-2,5-dione
CID 64965035
3-methyl-4-pentan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64957234
3,3-diethyl-6-methyl-1-(1-methylsulfonylpropan-2-yl)piperazine-2,5-dione
CID 64973042
1-[1-(2-chlorophenyl)ethyl]-3-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64965514

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione (CID 64965046) is 3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione is CCCCCCC(C)N1C(=O)C(C)(CC)NC(=O)C1C.
What is the InChIKey of 3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione?
The InChIKey is FKOKXQWFQINONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-6-8-9-10-11-12(3)18-13(4)14(19)17-16(5,7-2)15(18)20/h12-13H,6-11H2,1-5H3,(H,17,19).
What are the key properties of 3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione?
3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3,6-dimethyl-1-octan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64965046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).