1-(2-phenylpropyl)piperazine-2,5-dione

C13H16N2O2 — CID 113430277

IUPAC1-(2-phenylpropyl)piperazine-2,5-dione
SMILESCC(CN1CC(=O)NCC1=O)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(11-5-3-2-4-6-11)8-15-9-12(16)14-7-13(15)17/h2-6,10H,7-9H2,1H3,(H,14,16)
InChIKeyFURCFQQHYJAMKU-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.75
Rot. Bonds3

About 1-(2-phenylpropyl)piperazine-2,5-dione

1-(2-phenylpropyl)piperazine-2,5-dione (PubChem CID 113430277) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(2-phenylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-phenylpropyl)piperazine-2,5-dione
PubChem CID113430277
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(2-phenylpropyl)piperazine-2,5-dione
SMILESCC(CN1CC(=O)NCC1=O)c1ccccc1
InChIInChI=1S/C13H16N2O2/c1-10(11-5-3-2-4-6-11)8-15-9-12(16)14-7-13(15)17/h2-6,10H,7-9H2,1H3,(H,14,16)
InChIKeyFURCFQQHYJAMKU-UHFFFAOYSA-N
XLogP0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-phenylpropyl)piperazine-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

1-(3-phenylbutyl)-1,4-diazepane-2,5-dione
CID 64969982
1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione
CID 104592447
1-(3-phenylpropyl)piperazine-2,5-dione
CID 64874242
1-(2-phenylpropyl)piperidine-2,4-dione
CID 104591585
4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104592328
5-methyl-1-(2-phenylpropyl)-1,3-diazinane-2,4-dione
CID 113430281
1-(3-phenoxypropyl)piperazine-2,5-dione
CID 64873257
1-(1-phenylpropan-2-yl)piperazine-2,5-dione
CID 64955615
3-ethyl-1-(2-phenylpropyl)-1,4-diazepane-2,5-dione
CID 104592419
3-amino-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104591592
3-ethyl-3-methyl-1-(3-phenylbutyl)piperazine-2,5-dione
CID 64970121
1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 64873058

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(2-phenylpropyl)piperazine-2,5-dione (CID 113430277) is 1-(2-phenylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(2-phenylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(2-phenylpropyl)piperazine-2,5-dione is CC(CN1CC(=O)NCC1=O)c1ccccc1.
What is the InChIKey of 1-(2-phenylpropyl)piperazine-2,5-dione?
The InChIKey is FURCFQQHYJAMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(11-5-3-2-4-6-11)8-15-9-12(16)14-7-13(15)17/h2-6,10H,7-9H2,1H3,(H,14,16).
What are the key properties of 1-(2-phenylpropyl)piperazine-2,5-dione?
1-(2-phenylpropyl)piperazine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 113430277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).