3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione

C13H22N2O3 — CID 106002969

IUPAC3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(CCC2CCCCO2)C1=O
InChIInChI=1S/C13H22N2O3/c1-13(2)12(17)15(9-11(16)14-13)7-6-10-5-3-4-8-18-10/h10H,3-9H2,1-2H3,(H,14,16)
InChIKeyUSHJNOBGDUWJFS-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.68
Rot. Bonds3

About 3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione

3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 106002969) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
PubChem CID106002969
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(CCC2CCCCO2)C1=O
InChIInChI=1S/C13H22N2O3/c1-13(2)12(17)15(9-11(16)14-13)7-6-10-5-3-4-8-18-10/h10H,3-9H2,1-2H3,(H,14,16)
InChIKeyUSHJNOBGDUWJFS-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170352
1-(2-cyclohexylethyl)-3,3-dimethylpiperazine-2,5-dione
CID 64964121
3,3-diethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170452
6-ethyl-3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione
CID 106002967
1-[2-(oxan-2-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106003016
3,3-dimethyl-1-propylpiperazine-2,5-dione
CID 64881118
3-methyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170302
4-(oxan-2-ylmethyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64878807
4-[2-(oxolan-2-yl)ethyl]piperazine-2,6-dione
CID 63789085
3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione
CID 64881514
1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 64967331
3,3-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine-2,5-dione
CID 112592173

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione (CID 106002969) is 3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione is CC1(C)NC(=O)CN(CCC2CCCCO2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is USHJNOBGDUWJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2)12(17)15(9-11(16)14-13)7-6-10-5-3-4-8-18-10/h10H,3-9H2,1-2H3,(H,14,16).
What are the key properties of 3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione?
3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-(oxan-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 106002969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).