3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione

C16H28N2O3 — CID 64900912

IUPAC3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)(CC)N(CC2CCOCC2)C1=O
InChIInChI=1S/C16H28N2O3/c1-4-13-14(19)18(11-12-7-9-21-10-8-12)16(5-2,6-3)15(20)17-13/h12-13H,4-11H2,1-3H3,(H,17,20)
InChIKeyGOTNBMQKNJAADH-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.71
Rot. Bonds5

About 3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione

3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione (PubChem CID 64900912) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
PubChem CID64900912
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)(CC)N(CC2CCOCC2)C1=O
InChIInChI=1S/C16H28N2O3/c1-4-13-14(19)18(11-12-7-9-21-10-8-12)16(5-2,6-3)15(20)17-13/h12-13H,4-11H2,1-3H3,(H,17,20)
InChIKeyGOTNBMQKNJAADH-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64903009
3,6,6-triethyl-1-pentylpiperazine-2,5-dione
CID 64901293
3,6,6-triethyl-1-(2-fluoroethyl)piperazine-2,5-dione
CID 80696620
1-(cyclopentylmethyl)-6,6-diethyl-3-methylpiperazine-2,5-dione
CID 64873323
5-ethyl-2-methyl-3-(oxan-4-ylmethyl)imidazolidin-4-one
CID 83257443
6,6-dimethyl-1-(oxolan-3-ylmethyl)-3-propylpiperazine-2,5-dione
CID 64874959
3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione
CID 65460488
3,6,6-triethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64903402
3,6,6-triethyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
CID 64901866
3-ethyl-1-(oxan-4-ylmethyl)piperazin-2-one
CID 63602279
2-ethyl-5-methyl-3-(oxan-4-ylmethyl)imidazolidin-4-one
CID 83257022
1-(cyclopropylmethyl)-3-ethyl-6-methyl-6-phenylpiperazine-2,5-dione
CID 64902260

Frequently Asked Questions

What is the IUPAC name of 3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione (CID 64900912) is 3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione is CCC1NC(=O)C(CC)(CC)N(CC2CCOCC2)C1=O.
What is the InChIKey of 3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione?
The InChIKey is GOTNBMQKNJAADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-4-13-14(19)18(11-12-7-9-21-10-8-12)16(5-2,6-3)15(20)17-13/h12-13H,4-11H2,1-3H3,(H,17,20).
What are the key properties of 3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione?
3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione has a molecular weight of 296.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6-triethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64900912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).