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

C12H20N2O3 — CID 64873851

IUPAC6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C)N(C2CCOC2)C1=O
InChIInChI=1S/C12H20N2O3/c1-7(2)10-12(16)14(8(3)11(15)13-10)9-4-5-17-6-9/h7-10H,4-6H2,1-3H3,(H,13,15)
InChIKeyCWJNVAYARJUCCS-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.15
Rot. Bonds2

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

6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64873851) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64873851
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)C(C)N(C2CCOC2)C1=O
InChIInChI=1S/C12H20N2O3/c1-7(2)10-12(16)14(8(3)11(15)13-10)9-4-5-17-6-9/h7-10H,4-6H2,1-3H3,(H,13,15)
InChIKeyCWJNVAYARJUCCS-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-cyclopropyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64873601
1-cyclopentyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958467
1-(2,2-dimethyloxan-4-yl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 83040418
3-tert-butyl-6-methyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64903031
3-methyl-1-(oxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64874478
6-methyl-1-(3-methylcyclohexyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64960355
3-butan-2-yl-6-ethyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64902522
3-(oxolan-3-yl)-2-phenyl-5-propan-2-ylimidazolidin-4-one
CID 83271007
3-butan-2-yl-6-tert-butyl-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64903462
3-butan-2-yl-7-methyl-1-(oxolan-3-yl)-1,4-diazepane-2,5-dione
CID 64882943
6-ethyl-6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64874208
3-(oxan-3-yl)-5-propan-2-yl-2-propylimidazolidin-4-one
CID 83263063

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione (CID 64873851) is 6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)C(C)N(C2CCOC2)C1=O.
What is the InChIKey of 6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is CWJNVAYARJUCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-7(2)10-12(16)14(8(3)11(15)13-10)9-4-5-17-6-9/h7-10H,4-6H2,1-3H3,(H,13,15).
What are the key properties of 6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione?
6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 240.30 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(oxolan-3-yl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64873851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).