1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione

C11H20N2O3 — CID 64873314

IUPAC1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione
SMILESCCOCCN1C(=O)C(C)NC(=O)C1(C)C
InChIInChI=1S/C11H20N2O3/c1-5-16-7-6-13-9(14)8(2)12-10(15)11(13,3)4/h8H,5-7H2,1-4H3,(H,12,15)
InChIKeyUUWRSLZRHPNNCM-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds4

About 1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione

1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione (PubChem CID 64873314) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione
PubChem CID64873314
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione
SMILESCCOCCN1C(=O)C(C)NC(=O)C1(C)C
InChIInChI=1S/C11H20N2O3/c1-5-16-7-6-13-9(14)8(2)12-10(15)11(13,3)4/h8H,5-7H2,1-4H3,(H,12,15)
InChIKeyUUWRSLZRHPNNCM-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione (CID 64873314) is 1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione is CCOCCN1C(=O)C(C)NC(=O)C1(C)C.
What is the InChIKey of 1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione?
The InChIKey is UUWRSLZRHPNNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-16-7-6-13-9(14)8(2)12-10(15)11(13,3)4/h8H,5-7H2,1-4H3,(H,12,15).
What are the key properties of 1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione?
1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione has a molecular weight of 228.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 64873314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).