1-(2-ethylbutyl)piperazine-2,6-dione

C10H18N2O2 — CID 82929590

IUPAC1-(2-ethylbutyl)piperazine-2,6-dione
SMILESCCC(CC)CN1C(=O)CNCC1=O
InChIInChI=1S/C10H18N2O2/c1-3-8(4-2)7-12-9(13)5-11-6-10(12)14/h8,11H,3-7H2,1-2H3
InChIKeyLIVNWYUIXCGSPG-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.38
Rot. Bonds4

About 1-(2-ethylbutyl)piperazine-2,6-dione

1-(2-ethylbutyl)piperazine-2,6-dione (PubChem CID 82929590) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-(2-ethylbutyl)piperazine-2,6-dione.

Molecular Properties

Compound Name1-(2-ethylbutyl)piperazine-2,6-dione
PubChem CID82929590
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-(2-ethylbutyl)piperazine-2,6-dione
SMILESCCC(CC)CN1C(=O)CNCC1=O
InChIInChI=1S/C10H18N2O2/c1-3-8(4-2)7-12-9(13)5-11-6-10(12)14/h8,11H,3-7H2,1-2H3
InChIKeyLIVNWYUIXCGSPG-UHFFFAOYSA-N
XLogP0.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethylhexyl)imidazolidin-4-one
CID 107819301
1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione
CID 79507124
1-(2-propylsulfonylethyl)piperazine-2,6-dione
CID 106729420
1-(2-ethylbutyl)imidazolidine-2,4-dione
CID 82925481
1-(2-ethylhexyl)-3-methyl-1,3-diazinane-2,4,6-trione
CID 21307382
1-(2-methylbutyl)piperazin-2-one;hydrobromide
CID 141488890
1-(3-hydroxypropyl)piperazine-2,6-dione
CID 66062838
1-(3-chloropropyl)piperazine-2,6-dione
CID 21245750
6-amino-1-(2-ethylbutyl)-3,4-dihydroquinolin-2-one
CID 82926292
1-butan-2-ylpiperazin-2-one;hydrobromide
CID 141488903
3-[2-(dimethylamino)propyl]imidazolidin-4-one
CID 83249360
1-(2-phenoxyethyl)piperazine-2,6-dione
CID 66062056

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)piperazine-2,6-dione?
The IUPAC name of 1-(2-ethylbutyl)piperazine-2,6-dione (CID 82929590) is 1-(2-ethylbutyl)piperazine-2,6-dione.
What is the SMILES notation for 1-(2-ethylbutyl)piperazine-2,6-dione?
The canonical SMILES for 1-(2-ethylbutyl)piperazine-2,6-dione is CCC(CC)CN1C(=O)CNCC1=O.
What is the InChIKey of 1-(2-ethylbutyl)piperazine-2,6-dione?
The InChIKey is LIVNWYUIXCGSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-8(4-2)7-12-9(13)5-11-6-10(12)14/h8,11H,3-7H2,1-2H3.
What are the key properties of 1-(2-ethylbutyl)piperazine-2,6-dione?
1-(2-ethylbutyl)piperazine-2,6-dione has a molecular weight of 198.27 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)piperazine-2,6-dione is sourced from PubChem (CID 82929590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).