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

C13H22N2O3 — CID 113482349

IUPAC3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(C2(C)CCOC2)C1=O
InChIInChI=1S/C13H22N2O3/c1-8(2)10-11(16)14-9(3)12(17)15(10)13(4)5-6-18-7-13/h8-10H,5-7H2,1-4H3,(H,14,16)
InChIKeyPPLYQVPNPOAQIK-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.54
Rot. Bonds2

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

3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 113482349) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID113482349
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(C2(C)CCOC2)C1=O
InChIInChI=1S/C13H22N2O3/c1-8(2)10-11(16)14-9(3)12(17)15(10)13(4)5-6-18-7-13/h8-10H,5-7H2,1-4H3,(H,14,16)
InChIKeyPPLYQVPNPOAQIK-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(3-methyloxolan-3-yl)-6-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

3-methyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968328
3-methyl-1-(oxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64874478
3-ethyl-1-(1-methylcyclohexyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968282
3-butan-2-yl-1-(1-methylcyclopentyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64973556
1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 79878671
3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 80732818
3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902
3-methyl-1-[(1-methylpiperidin-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64966902
1-(1-cyclohexylethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64969249
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958010
1-(2-fluoroethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 80696895
3-methyl-6-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine-2,5-dione
CID 106290691

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione (CID 113482349) is 3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione is CC1NC(=O)C(C(C)C)N(C2(C)CCOC2)C1=O.
What is the InChIKey of 3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is PPLYQVPNPOAQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8(2)10-11(16)14-9(3)12(17)15(10)13(4)5-6-18-7-13/h8-10H,5-7H2,1-4H3,(H,14,16).
What are the key properties of 3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione?
3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 113482349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).