1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione

C13H24N2O3 — CID 64967279

IUPAC1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCOCC(C)N1C(=O)C(C(C)C)NC(=O)C1C
InChIInChI=1S/C13H24N2O3/c1-6-18-7-9(4)15-10(5)12(16)14-11(8(2)3)13(15)17/h8-11H,6-7H2,1-5H3,(H,14,16)
InChIKeyYPRACJOTZBNNMI-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.78
Rot. Bonds5

About 1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione

1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64967279) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64967279
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
SMILESCCOCC(C)N1C(=O)C(C(C)C)NC(=O)C1C
InChIInChI=1S/C13H24N2O3/c1-6-18-7-9(4)15-10(5)12(16)14-11(8(2)3)13(15)17/h8-11H,6-7H2,1-5H3,(H,14,16)
InChIKeyYPRACJOTZBNNMI-UHFFFAOYSA-N
XLogP0.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-(1-ethoxypropan-2-yl)-6-methyl-3-phenylpiperazine-2,5-dione
CID 64967412
6-methyl-1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64970537
6-methyl-1-(3-methylbutan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64959782
1-(1-cyclopentylethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64972264
3-(1-ethoxypropan-2-yl)-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 83246403
6-ethyl-1-(4-methoxybutan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64973001
1-(2-butoxyethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873847
1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64956777
1-(1-ethoxypropan-2-yl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64967295
5-butan-2-yl-3-(1-ethoxypropan-2-yl)-2-propylimidazolidin-4-one
CID 83247716
5-butan-2-yl-3-(1-ethoxypropan-2-yl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83245364
1-(2-ethylbutyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 82934843

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione (CID 64967279) is 1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione is CCOCC(C)N1C(=O)C(C(C)C)NC(=O)C1C.
What is the InChIKey of 1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is YPRACJOTZBNNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-6-18-7-9(4)15-10(5)12(16)14-11(8(2)3)13(15)17/h8-11H,6-7H2,1-5H3,(H,14,16).
What are the key properties of 1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione?
1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 256.35 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypropan-2-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64967279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).