3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione

C12H20N2O3 — CID 82736694

IUPAC3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
SMILESCC1OCCC1N1C(=O)C(C)(C)NC(=O)C1C
InChIInChI=1S/C12H20N2O3/c1-7-10(15)13-12(3,4)11(16)14(7)9-5-6-17-8(9)2/h7-9H,5-6H2,1-4H3,(H,13,15)
InChIKeyKENGJOVIPKUXJS-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.29
Rot. Bonds1

About 3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione

3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione (PubChem CID 82736694) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
PubChem CID82736694
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
SMILESCC1OCCC1N1C(=O)C(C)(C)NC(=O)C1C
InChIInChI=1S/C12H20N2O3/c1-7-10(15)13-12(3,4)11(16)14(7)9-5-6-17-8(9)2/h7-9H,5-6H2,1-4H3,(H,13,15)
InChIKeyKENGJOVIPKUXJS-UHFFFAOYSA-N
XLogP0.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-diethyl-3-methyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
CID 82737026
3,3,6-trimethyl-1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-2,5-dione
CID 64972712
6-(2-methyloxolan-3-yl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83259585
5-ethyl-5-methyl-3-(2-methyloxolan-3-yl)-2-propan-2-ylimidazolidin-4-one
CID 83260746
6-tert-butyl-3,3-dimethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64901984
1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64875190
3-cyclopropyl-3,6-dimethyl-1-(2-methylcyclopropyl)piperazine-2,5-dione
CID 64969515
3,3-diethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione
CID 82736239
3,3,6-trimethyl-1-(1-methylcyclohexyl)piperazine-2,5-dione
CID 64968258
1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione
CID 82737491
6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 82737139
6-tert-butyl-1-cycloheptyl-3,3-dimethylpiperazine-2,5-dione
CID 82924551

Frequently Asked Questions

What is the IUPAC name of 3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione?
The IUPAC name of 3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione (CID 82736694) is 3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione is CC1OCCC1N1C(=O)C(C)(C)NC(=O)C1C.
What is the InChIKey of 3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione?
The InChIKey is KENGJOVIPKUXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-7-10(15)13-12(3,4)11(16)14(7)9-5-6-17-8(9)2/h7-9H,5-6H2,1-4H3,(H,13,15).
What are the key properties of 3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione?
3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione has a molecular weight of 240.30 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6-trimethyl-1-(2-methyloxolan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 82736694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).