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

C15H26N2O3 — CID 82737139

IUPAC6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC(C)C)C(=O)N1C1CCOC1C
InChIInChI=1S/C15H26N2O3/c1-5-12-14(18)16-11(8-9(2)3)15(19)17(12)13-6-7-20-10(13)4/h9-13H,5-8H2,1-4H3,(H,16,18)
InChIKeyJUAVUBXUPBQNFO-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds4

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

6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 82737139) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID82737139
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC(C)C)C(=O)N1C1CCOC1C
InChIInChI=1S/C15H26N2O3/c1-5-12-14(18)16-11(8-9(2)3)15(19)17(12)13-6-7-20-10(13)4/h9-13H,5-8H2,1-4H3,(H,16,18)
InChIKeyJUAVUBXUPBQNFO-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
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-ethyl-2-(2-methyloxolan-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 82736808
6-ethyl-3-(2-methylpropyl)-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64966897
5-butan-2-yl-2-ethyl-3-(2-methyloxolan-3-yl)imidazolidin-4-one
CID 83259587
3,6-diethyl-1-(2-methylcyclopentyl)piperazine-2,5-dione
CID 64970415
6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964823
6-ethyl-1-(1-methylcyclopentyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64973563
(3S,6S,9S,12S,15S)-1,7-dimethyl-3,6,9,12,15-pentakis(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 25112188
6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 107902162
1-cycloheptyl-3-ethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 82924934
1-(cyclopropylmethyl)-3-(2-methylpropyl)-6-propylpiperazine-2,5-dione
CID 64900957
6-ethyl-1-(2-methylcyclohexyl)-3-propylpiperazine-2,5-dione
CID 64959124

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 82737139) is 6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione is CCC1C(=O)NC(CC(C)C)C(=O)N1C1CCOC1C.
What is the InChIKey of 6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is JUAVUBXUPBQNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-12-14(18)16-11(8-9(2)3)15(19)17(12)13-6-7-20-10(13)4/h9-13H,5-8H2,1-4H3,(H,16,18).
What are the key properties of 6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione?
6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 82737139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).