1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione

C13H22N2O4 — CID 64963951

IUPAC1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(CC2COCCO2)C1=O
InChIInChI=1S/C13H22N2O4/c1-3-13(4-2)12(17)15(8-11(16)14-13)7-10-9-18-5-6-19-10/h10H,3-9H2,1-2H3,(H,14,16)
InChIKeyXJLZLCUEPMNILN-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.08
Rot. Bonds4

About 1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione

1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione (PubChem CID 64963951) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione
PubChem CID64963951
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione
SMILESCCC1(CC)NC(=O)CN(CC2COCCO2)C1=O
InChIInChI=1S/C13H22N2O4/c1-3-13(4-2)12(17)15(8-11(16)14-13)7-10-9-18-5-6-19-10/h10H,3-9H2,1-2H3,(H,14,16)
InChIKeyXJLZLCUEPMNILN-UHFFFAOYSA-N
XLogP-0.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64882149
3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methylimidazolidin-4-one
CID 83256538
3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170452
3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione
CID 64964195
1-(cyclopentylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64884500
1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one
CID 115370969
1-(2,2-dimethylpropyl)-3,3-diethylpiperazine-2,5-dione
CID 64963911
3,3-diethyl-1-(2-ethylsulfinylethyl)piperazine-2,5-dione
CID 113495315
3,3-diethyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619343
3,3-diethyl-1-[(1-ethylpyrrolidin-3-yl)methyl]piperazine-2,5-dione
CID 64963616
3-(1,4-dioxan-2-ylmethyl)-5-ethyl-5-methyl-2-propan-2-ylimidazolidin-4-one
CID 83256292
4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64878807

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione (CID 64963951) is 1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione is CCC1(CC)NC(=O)CN(CC2COCCO2)C1=O.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione?
The InChIKey is XJLZLCUEPMNILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-3-13(4-2)12(17)15(8-11(16)14-13)7-10-9-18-5-6-19-10/h10H,3-9H2,1-2H3,(H,14,16).
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione?
1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione has a molecular weight of 270.33 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione is sourced from PubChem (CID 64963951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).