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

C12H20N2O3 — CID 64874853

IUPAC3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(CC2CCCCO2)C1=O
InChIInChI=1S/C12H20N2O3/c1-8-12(16)14(9(2)11(15)13-8)7-10-5-3-4-6-17-10/h8-10H,3-7H2,1-2H3,(H,13,15)
InChIKeyAZLKASXDBNCMCI-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.29
Rot. Bonds2

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

3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64874853) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
PubChem CID64874853
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
SMILESCC1NC(=O)C(C)N(CC2CCCCO2)C1=O
InChIInChI=1S/C12H20N2O3/c1-8-12(16)14(9(2)11(15)13-8)7-10-5-3-4-6-17-10/h8-10H,3-7H2,1-2H3,(H,13,15)
InChIKeyAZLKASXDBNCMCI-UHFFFAOYSA-N
XLogP0.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-cyclopropyl-6-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64886563
3,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 64967006
2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83255693
2-cyclopentyl-5-methyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83256823
2-methyl-3-(oxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83256490
3-cyclopropyl-6-ethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64885044
5-methyl-2-(2-methylpropyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one
CID 83251471
1-[(1,1-dioxothiolan-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 81040465
1-(cyclopentylmethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64887134
6-tert-butyl-3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170198
3,6-diethyl-3-methyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione
CID 64887574
2-ethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83256573

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione (CID 64874853) is 3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione is CC1NC(=O)C(C)N(CC2CCCCO2)C1=O.
What is the InChIKey of 3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is AZLKASXDBNCMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-12(16)14(9(2)11(15)13-8)7-10-5-3-4-6-17-10/h8-10H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione?
3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 240.30 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-(oxan-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64874853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).