3,6-dibenzylpiperazine-2,5-dione

C18H18N2O2 — CID 16829

IUPAC3,6-dibenzylpiperazine-2,5-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)NC1Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,22)(H,20,21)
InChIKeyJUAPMRSLDANLAS-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.46
Rot. Bonds4

About 3,6-dibenzylpiperazine-2,5-dione

3,6-dibenzylpiperazine-2,5-dione (PubChem CID 16829) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3,6-dibenzylpiperazine-2,5-dione.

Molecular Properties

Compound Name3,6-dibenzylpiperazine-2,5-dione
PubChem CID16829
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3,6-dibenzylpiperazine-2,5-dione
SMILESO=C1NC(Cc2ccccc2)C(=O)NC1Cc1ccccc1
InChIInChI=1S/C18H18N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,22)(H,20,21)
InChIKeyJUAPMRSLDANLAS-UHFFFAOYSA-N
XLogP1.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibenzylpiperazine-2,5-dione?
The IUPAC name of 3,6-dibenzylpiperazine-2,5-dione (CID 16829) is 3,6-dibenzylpiperazine-2,5-dione.
What is the SMILES notation for 3,6-dibenzylpiperazine-2,5-dione?
The canonical SMILES for 3,6-dibenzylpiperazine-2,5-dione is O=C1NC(Cc2ccccc2)C(=O)NC1Cc1ccccc1.
What is the InChIKey of 3,6-dibenzylpiperazine-2,5-dione?
The InChIKey is JUAPMRSLDANLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,22)(H,20,21).
What are the key properties of 3,6-dibenzylpiperazine-2,5-dione?
3,6-dibenzylpiperazine-2,5-dione has a molecular weight of 294.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibenzylpiperazine-2,5-dione is sourced from PubChem (CID 16829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).