1-(2,5-dimethylpiperazin-1-yl)ethanone

C8H16N2O — CID 20691603

IUPAC1-(2,5-dimethylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CC(C)NCC1C
InChIInChI=1S/C8H16N2O/c1-6-5-10(8(3)11)7(2)4-9-6/h6-7,9H,4-5H2,1-3H3
InChIKeyIZFVIZORCOWLJA-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.22
Rot. Bonds

About 1-(2,5-dimethylpiperazin-1-yl)ethanone

1-(2,5-dimethylpiperazin-1-yl)ethanone (PubChem CID 20691603) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(2,5-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylpiperazin-1-yl)ethanone
PubChem CID20691603
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(2,5-dimethylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CC(C)NCC1C
InChIInChI=1S/C8H16N2O/c1-6-5-10(8(3)11)7(2)4-9-6/h6-7,9H,4-5H2,1-3H3
InChIKeyIZFVIZORCOWLJA-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,5-dimethylpiperazin-1-yl)ethanone 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-(2,5-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2,5-dimethylpiperazin-1-yl)ethanone (CID 20691603) is 1-(2,5-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethylpiperazin-1-yl)ethanone is CC(=O)N1CC(C)NCC1C.
What is the InChIKey of 1-(2,5-dimethylpiperazin-1-yl)ethanone?
The InChIKey is IZFVIZORCOWLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-5-10(8(3)11)7(2)4-9-6/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 1-(2,5-dimethylpiperazin-1-yl)ethanone?
1-(2,5-dimethylpiperazin-1-yl)ethanone has a molecular weight of 156.23 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 20691603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).