3-(oxan-4-ylmethyl)piperazine-2,5-dione

C10H16N2O3 — CID 66582498

IUPAC3-(oxan-4-ylmethyl)piperazine-2,5-dione
SMILESO=C1CNC(=O)C(CC2CCOCC2)N1
InChIInChI=1S/C10H16N2O3/c13-9-6-11-10(14)8(12-9)5-7-1-3-15-4-2-7/h7-8H,1-6H2,(H,11,14)(H,12,13)
InChIKeyRTJNJCPDDGPKRV-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.58
Rot. Bonds2

About 3-(oxan-4-ylmethyl)piperazine-2,5-dione

3-(oxan-4-ylmethyl)piperazine-2,5-dione (PubChem CID 66582498) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(oxan-4-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-(oxan-4-ylmethyl)piperazine-2,5-dione
PubChem CID66582498
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name3-(oxan-4-ylmethyl)piperazine-2,5-dione
SMILESO=C1CNC(=O)C(CC2CCOCC2)N1
InChIInChI=1S/C10H16N2O3/c13-9-6-11-10(14)8(12-9)5-7-1-3-15-4-2-7/h7-8H,1-6H2,(H,11,14)(H,12,13)
InChIKeyRTJNJCPDDGPKRV-UHFFFAOYSA-N
XLogP-0.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-(oxan-4-ylmethyl)piperazine-2,5-dione (CID 66582498) is 3-(oxan-4-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-(oxan-4-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-(oxan-4-ylmethyl)piperazine-2,5-dione is O=C1CNC(=O)C(CC2CCOCC2)N1.
What is the InChIKey of 3-(oxan-4-ylmethyl)piperazine-2,5-dione?
The InChIKey is RTJNJCPDDGPKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c13-9-6-11-10(14)8(12-9)5-7-1-3-15-4-2-7/h7-8H,1-6H2,(H,11,14)(H,12,13).
What are the key properties of 3-(oxan-4-ylmethyl)piperazine-2,5-dione?
3-(oxan-4-ylmethyl)piperazine-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 66582498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).