3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione

C13H24N2O3 — CID 113473201

IUPAC3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)(C)N(C(C)COC)C1=O
InChIInChI=1S/C13H24N2O3/c1-7-13(5)11(17)15(9(2)8-18-6)12(3,4)10(16)14-13/h9H,7-8H2,1-6H3,(H,14,16)
InChIKeyZNWQZQLLLGFSDY-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.93
Rot. Bonds4

About 3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione

3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione (PubChem CID 113473201) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione
PubChem CID113473201
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C)(C)N(C(C)COC)C1=O
InChIInChI=1S/C13H24N2O3/c1-7-13(5)11(17)15(9(2)8-18-6)12(3,4)10(16)14-13/h9H,7-8H2,1-6H3,(H,14,16)
InChIKeyZNWQZQLLLGFSDY-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione (CID 113473201) is 3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione is CCC1(C)NC(=O)C(C)(C)N(C(C)COC)C1=O.
What is the InChIKey of 3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione?
The InChIKey is ZNWQZQLLLGFSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-7-13(5)11(17)15(9(2)8-18-6)12(3,4)10(16)14-13/h9H,7-8H2,1-6H3,(H,14,16).
What are the key properties of 3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione?
3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione has a molecular weight of 256.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-methoxypropan-2-yl)-3,6,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 113473201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).