3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione

C13H22N2O4 — CID 64964195

IUPAC3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)CN(CC2COCCO2)C1=O
InChIInChI=1S/C13H22N2O4/c1-13(2,3)11-12(17)15(7-10(16)14-11)6-9-8-18-4-5-19-9/h9,11H,4-8H2,1-3H3,(H,14,16)
InChIKeyCZBUNHKWQWYCST-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.23
Rot. Bonds2

About 3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione

3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64964195) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione
PubChem CID64964195
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione
SMILESCC(C)(C)C1NC(=O)CN(CC2COCCO2)C1=O
InChIInChI=1S/C13H22N2O4/c1-13(2,3)11-12(17)15(7-10(16)14-11)6-9-8-18-4-5-19-9/h9,11H,4-8H2,1-3H3,(H,14,16)
InChIKeyCZBUNHKWQWYCST-UHFFFAOYSA-N
XLogP-0.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxan-2-ylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64963951
1-[(E)-but-2-enyl]-3-tert-butylpiperazine-2,5-dione
CID 107898423
3-tert-butyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902440
1-(1,4-dioxan-2-ylmethyl)pyrrolidin-2-one
CID 155126020
3-tert-butyl-1-but-3-ynylpiperazine-2,5-dione
CID 64972437
3-tert-butyl-1-nonylpiperazine-2,5-dione
CID 64880756
3-tert-butyl-1-[(4,5-dimethylthiophen-2-yl)methyl]piperazine-2,5-dione
CID 65244363
3-(1,4-dioxan-2-ylmethyl)-5-propan-2-ylimidazolidin-4-one
CID 83256131
3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106422050
1-(1,4-dioxan-2-ylmethyl)-1,3-diazinan-2-one
CID 115370969
3-tert-butyl-1-[(3,5-dimethylphenyl)methyl]piperazine-2,5-dione
CID 64878866
3-tert-butyl-1-[(4-chlorophenyl)methyl]piperazine-2,5-dione
CID 64880952

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione (CID 64964195) is 3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione is CC(C)(C)C1NC(=O)CN(CC2COCCO2)C1=O.
What is the InChIKey of 3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is CZBUNHKWQWYCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-13(2,3)11-12(17)15(7-10(16)14-11)6-9-8-18-4-5-19-9/h9,11H,4-8H2,1-3H3,(H,14,16).
What are the key properties of 3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione?
3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 270.33 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(1,4-dioxan-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64964195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).