4-benzylpiperazine-2,6-dione

C11H12N2O2 — CID 560967

IUPAC4-benzylpiperazine-2,6-dione
SMILESO=C1CN(Cc2ccccc2)CC(=O)N1
InChIInChI=1S/C11H12N2O2/c14-10-7-13(8-11(15)12-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,14,15)
InChIKeyVURIYIYAKMLWMZ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.14
Rot. Bonds2

About 4-benzylpiperazine-2,6-dione

4-benzylpiperazine-2,6-dione (PubChem CID 560967) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-benzylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-benzylpiperazine-2,6-dione
PubChem CID560967
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-benzylpiperazine-2,6-dione
SMILESO=C1CN(Cc2ccccc2)CC(=O)N1
InChIInChI=1S/C11H12N2O2/c14-10-7-13(8-11(15)12-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,14,15)
InChIKeyVURIYIYAKMLWMZ-UHFFFAOYSA-N
XLogP0.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-benzylpiperazine-2,6-dione?
The IUPAC name of 4-benzylpiperazine-2,6-dione (CID 560967) is 4-benzylpiperazine-2,6-dione.
What is the SMILES notation for 4-benzylpiperazine-2,6-dione?
The canonical SMILES for 4-benzylpiperazine-2,6-dione is O=C1CN(Cc2ccccc2)CC(=O)N1.
What is the InChIKey of 4-benzylpiperazine-2,6-dione?
The InChIKey is VURIYIYAKMLWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c14-10-7-13(8-11(15)12-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,14,15).
What are the key properties of 4-benzylpiperazine-2,6-dione?
4-benzylpiperazine-2,6-dione has a molecular weight of 204.23 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylpiperazine-2,6-dione is sourced from PubChem (CID 560967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).