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

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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).