4-(2-methoxyethyl)-1-methylpiperazin-2-one

C8H16N2O2 — CID 117005154

IUPAC4-(2-methoxyethyl)-1-methylpiperazin-2-one
SMILESCOCCN1CCN(C)C(=O)C1
InChIInChI=1S/C8H16N2O2/c1-9-3-4-10(5-6-12-2)7-8(9)11/h3-7H2,1-2H3
InChIKeyHHHRFYZKJJUCFL-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.59
Rot. Bonds3

About 4-(2-methoxyethyl)-1-methylpiperazin-2-one

4-(2-methoxyethyl)-1-methylpiperazin-2-one (PubChem CID 117005154) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(2-methoxyethyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)-1-methylpiperazin-2-one
PubChem CID117005154
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-(2-methoxyethyl)-1-methylpiperazin-2-one
SMILESCOCCN1CCN(C)C(=O)C1
InChIInChI=1S/C8H16N2O2/c1-9-3-4-10(5-6-12-2)7-8(9)11/h3-7H2,1-2H3
InChIKeyHHHRFYZKJJUCFL-UHFFFAOYSA-N
XLogP-0.59
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)-1-methylpiperazin-2-one?
The IUPAC name of 4-(2-methoxyethyl)-1-methylpiperazin-2-one (CID 117005154) is 4-(2-methoxyethyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-methoxyethyl)-1-methylpiperazin-2-one?
The canonical SMILES for 4-(2-methoxyethyl)-1-methylpiperazin-2-one is COCCN1CCN(C)C(=O)C1.
What is the InChIKey of 4-(2-methoxyethyl)-1-methylpiperazin-2-one?
The InChIKey is HHHRFYZKJJUCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-9-3-4-10(5-6-12-2)7-8(9)11/h3-7H2,1-2H3.
What are the key properties of 4-(2-methoxyethyl)-1-methylpiperazin-2-one?
4-(2-methoxyethyl)-1-methylpiperazin-2-one has a molecular weight of 172.23 g/mol, XLogP of -0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 117005154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).