6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione

C12H22N2O4 — CID 64873869

IUPAC6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1CCOCCOC
InChIInChI=1S/C12H22N2O4/c1-4-10-11(15)13-9(2)12(16)14(10)5-6-18-8-7-17-3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyRXLXUTAOCGKPMZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.23
Rot. Bonds7

About 6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione

6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione (PubChem CID 64873869) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
PubChem CID64873869
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1CCOCCOC
InChIInChI=1S/C12H22N2O4/c1-4-10-11(15)13-9(2)12(16)14(10)5-6-18-8-7-17-3/h9-10H,4-8H2,1-3H3,(H,13,15)
InChIKeyRXLXUTAOCGKPMZ-UHFFFAOYSA-N
XLogP-0.23
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione (CID 64873869) is 6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1CCOCCOC.
What is the InChIKey of 6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione?
The InChIKey is RXLXUTAOCGKPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-10-11(15)13-9(2)12(16)14(10)5-6-18-8-7-17-3/h9-10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione?
6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione has a molecular weight of 258.32 g/mol, XLogP of -0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64873869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).