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

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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).