3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione

C14H22N2O3 — CID 80732818

IUPAC3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(C2CC3CCC2O3)C1=O
InChIInChI=1S/C14H22N2O3/c1-7(2)12-13(17)15-8(3)14(18)16(12)10-6-9-4-5-11(10)19-9/h7-12H,4-6H2,1-3H3,(H,15,17)
InChIKeyIEYWGJJYTUNBPE-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.68
Rot. Bonds2

About 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione

3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 80732818) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID80732818
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)N(C2CC3CCC2O3)C1=O
InChIInChI=1S/C14H22N2O3/c1-7(2)12-13(17)15-8(3)14(18)16(12)10-6-9-4-5-11(10)19-9/h7-12H,4-6H2,1-3H3,(H,15,17)
InChIKeyIEYWGJJYTUNBPE-UHFFFAOYSA-N
XLogP0.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione with MolForge

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Related Compounds

3-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 80731819
1-(1-azabicyclo[2.2.2]octan-3-yl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958010
3-methyl-1-(oxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64874478
5-methyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-thiophen-2-ylimidazolidin-4-one
CID 83270697
1-(2,2-dimethylcyclohexyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 79878671
(3aS,4R,7S,7aR)-2-[(1R,2R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]-3a,4,5,6,7,7a-hexahydro-4,7-epoxyisoindole-1,3-dione
CID 155963249
3-tert-butyl-6-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)piperazine-2,5-dione
CID 80725478
2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propylimidazolidin-4-one
CID 83271173
1-(2-methylcyclopropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64969350
8-ethyl-9-(7-oxabicyclo[2.2.1]heptan-2-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 80725501
3-methyl-1-(3-methyloxolan-3-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 113482349
3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione (CID 80732818) is 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione is CC1NC(=O)C(C(C)C)N(C2CC3CCC2O3)C1=O.
What is the InChIKey of 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is IEYWGJJYTUNBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-7(2)12-13(17)15-8(3)14(18)16(12)10-6-9-4-5-11(10)19-9/h7-12H,4-6H2,1-3H3,(H,15,17).
What are the key properties of 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione?
3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 266.34 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 80732818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).