1-(oxan-3-yl)piperazine-2,5-dione

C9H14N2O3 — CID 64955997

IUPAC1-(oxan-3-yl)piperazine-2,5-dione
SMILESO=C1CN(C2CCCOC2)C(=O)CN1
InChIInChI=1S/C9H14N2O3/c12-8-5-11(9(13)4-10-8)7-2-1-3-14-6-7/h7H,1-6H2,(H,10,12)
InChIKeyFZJXYRBEMIWBIX-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.88
Rot. Bonds1

About 1-(oxan-3-yl)piperazine-2,5-dione

1-(oxan-3-yl)piperazine-2,5-dione (PubChem CID 64955997) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(oxan-3-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(oxan-3-yl)piperazine-2,5-dione
PubChem CID64955997
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(oxan-3-yl)piperazine-2,5-dione
SMILESO=C1CN(C2CCCOC2)C(=O)CN1
InChIInChI=1S/C9H14N2O3/c12-8-5-11(9(13)4-10-8)7-2-1-3-14-6-7/h7H,1-6H2,(H,10,12)
InChIKeyFZJXYRBEMIWBIX-UHFFFAOYSA-N
XLogP-0.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)piperazine-2,5-dione?
The IUPAC name of 1-(oxan-3-yl)piperazine-2,5-dione (CID 64955997) is 1-(oxan-3-yl)piperazine-2,5-dione.
What is the SMILES notation for 1-(oxan-3-yl)piperazine-2,5-dione?
The canonical SMILES for 1-(oxan-3-yl)piperazine-2,5-dione is O=C1CN(C2CCCOC2)C(=O)CN1.
What is the InChIKey of 1-(oxan-3-yl)piperazine-2,5-dione?
The InChIKey is FZJXYRBEMIWBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-8-5-11(9(13)4-10-8)7-2-1-3-14-6-7/h7H,1-6H2,(H,10,12).
What are the key properties of 1-(oxan-3-yl)piperazine-2,5-dione?
1-(oxan-3-yl)piperazine-2,5-dione has a molecular weight of 198.22 g/mol, XLogP of -0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)piperazine-2,5-dione is sourced from PubChem (CID 64955997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).