6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione

C14H24N2O3 — CID 64901613

IUPAC6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C)(C)C(=O)N1CC1CCOC1
InChIInChI=1S/C14H24N2O3/c1-5-14(4)11(17)15-13(2,3)12(18)16(14)8-10-6-7-19-9-10/h10H,5-9H2,1-4H3,(H,15,17)
InChIKeyXLWUDEAAYAPNBO-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.93
Rot. Bonds3

About 6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione

6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione (PubChem CID 64901613) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
PubChem CID64901613
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C)(C)C(=O)N1CC1CCOC1
InChIInChI=1S/C14H24N2O3/c1-5-14(4)11(17)15-13(2,3)12(18)16(14)8-10-6-7-19-9-10/h10H,5-9H2,1-4H3,(H,15,17)
InChIKeyXLWUDEAAYAPNBO-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64901434
6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64874959
6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873223
6-ethyl-3,3,6-trimethyl-1-pentylpiperazine-2,5-dione
CID 64903530
3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64886924
3,3-dimethyl-1-(oxan-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64967761
1-cyclopentyl-6-ethyl-3,3,6-trimethylpiperazine-2,5-dione
CID 82936461
6-ethyl-3,3,6-trimethyl-1-(2-methylpentyl)piperazine-2,5-dione
CID 64902381
2-ethyl-3-(oxolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83255122
3-ethyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64903009
6-(oxolan-3-ylmethyl)-8-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64873782
1-(cyclopentylmethyl)-6-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 64873515

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione (CID 64901613) is 6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione is CCC1(C)C(=O)NC(C)(C)C(=O)N1CC1CCOC1.
What is the InChIKey of 6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is XLWUDEAAYAPNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-5-14(4)11(17)15-13(2,3)12(18)16(14)8-10-6-7-19-9-10/h10H,5-9H2,1-4H3,(H,15,17).
What are the key properties of 6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione?
6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64901613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).