1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one

C10H20N2O2 — CID 83700068

IUPAC1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one
SMILESCOCCN1C(=O)C(C)NCC1(C)C
InChIInChI=1S/C10H20N2O2/c1-8-9(13)12(5-6-14-4)10(2,3)7-11-8/h8,11H,5-7H2,1-4H3
InChIKeyIYCTYYVEOFKNOQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.23
Rot. Bonds3

About 1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one

1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one (PubChem CID 83700068) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one
PubChem CID83700068
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one
SMILESCOCCN1C(=O)C(C)NCC1(C)C
InChIInChI=1S/C10H20N2O2/c1-8-9(13)12(5-6-14-4)10(2,3)7-11-8/h8,11H,5-7H2,1-4H3
InChIKeyIYCTYYVEOFKNOQ-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one (CID 83700068) is 1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one is COCCN1C(=O)C(C)NCC1(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one?
The InChIKey is IYCTYYVEOFKNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8-9(13)12(5-6-14-4)10(2,3)7-11-8/h8,11H,5-7H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one?
1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one has a molecular weight of 200.28 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3,6,6-trimethylpiperazin-2-one is sourced from PubChem (CID 83700068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).