1-benzyl-3-phenylpiperazine-2,5-dione

C17H16N2O2 — CID 20794522

IUPAC1-benzyl-3-phenylpiperazine-2,5-dione
SMILESO=C1CN(Cc2ccccc2)C(=O)C(c2ccccc2)N1
InChIInChI=1S/C17H16N2O2/c20-15-12-19(11-13-7-3-1-4-8-13)17(21)16(18-15)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,18,20)
InChIKeyFBDNJCVIQQZPIJ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.89
Rot. Bonds3

About 1-benzyl-3-phenylpiperazine-2,5-dione

1-benzyl-3-phenylpiperazine-2,5-dione (PubChem CID 20794522) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-benzyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-phenylpiperazine-2,5-dione
PubChem CID20794522
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name1-benzyl-3-phenylpiperazine-2,5-dione
SMILESO=C1CN(Cc2ccccc2)C(=O)C(c2ccccc2)N1
InChIInChI=1S/C17H16N2O2/c20-15-12-19(11-13-7-3-1-4-8-13)17(21)16(18-15)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,18,20)
InChIKeyFBDNJCVIQQZPIJ-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-phenylpiperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-phenyl-1-prop-2-ynylpiperazine-2,5-dione
CID 64963692
3-phenyl-1-(1,3-thiazol-2-ylmethyl)piperazine-2,5-dione
CID 64965734
1-[(5-bromothiophen-2-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 64879769
1-[(3-bromothiophen-2-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 64879579
1-[(E)-but-2-enyl]-3-phenylpiperazine-2,5-dione
CID 107898417
1-benzyl-3-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 146160440
1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 106409186
1-benzyl-3-(2-methoxyethyl)piperazine-2,5-dione
CID 20794518
1-(2-ethoxyethyl)-3-phenylpiperazine-2,5-dione
CID 64878640
1-[(5-methyloxolan-2-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 103142004
1-benzyl-3-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 59324773
1-[(1-methylpyrrolidin-3-yl)methyl]-3-phenylpiperazine-2,5-dione
CID 64963539

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-benzyl-3-phenylpiperazine-2,5-dione (CID 20794522) is 1-benzyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-benzyl-3-phenylpiperazine-2,5-dione is O=C1CN(Cc2ccccc2)C(=O)C(c2ccccc2)N1.
What is the InChIKey of 1-benzyl-3-phenylpiperazine-2,5-dione?
The InChIKey is FBDNJCVIQQZPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-15-12-19(11-13-7-3-1-4-8-13)17(21)16(18-15)14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,18,20).
What are the key properties of 1-benzyl-3-phenylpiperazine-2,5-dione?
1-benzyl-3-phenylpiperazine-2,5-dione has a molecular weight of 280.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 20794522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).