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

C13H24N2O2 — CID 64903585

IUPAC3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(CCC(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-6-10-11(16)15(8-7-9(2)3)13(4,5)12(17)14-10/h9-10H,6-8H2,1-5H3,(H,14,17)
InChIKeySALYXQOSJOSMIE-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.55
Rot. Bonds4

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

3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione (PubChem CID 64903585) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione
PubChem CID64903585
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)(C)N(CCC(C)C)C1=O
InChIInChI=1S/C13H24N2O2/c1-6-10-11(16)15(8-7-9(2)3)13(4,5)12(17)14-10/h9-10H,6-8H2,1-5H3,(H,14,17)
InChIKeySALYXQOSJOSMIE-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclo(glycyl-L-leucyl)
CID 927723
Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(leucylglycine)
CID 2902
Cyclo(alanyl-leucyl)
CID 13879946
3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567
(3S,6S)-3-Isopropyl-6-methylpiperazine-2,5-dione
CID 13783106
(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
CID 25220884
3-(2-Butanyl)-6-methyl-2,5-piperazinedione
CID 45359405
(3R)-3-(propan-2-yl)piperazine-2,5-dione
CID 736000
(3S,6S)-3-((2S)-butan-2-yl)-6-methylpiperazine-2,5-dione
CID 71359704

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione (CID 64903585) is 3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione is CCC1NC(=O)C(C)(C)N(CCC(C)C)C1=O.
What is the InChIKey of 3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione?
The InChIKey is SALYXQOSJOSMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-10-11(16)15(8-7-9(2)3)13(4,5)12(17)14-10/h9-10H,6-8H2,1-5H3,(H,14,17).
What are the key properties of 3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione?
3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 64903585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).