4-(1-phenylpropan-2-yl)piperazine-2,6-dione

C13H16N2O2 — CID 63788386

IUPAC4-(1-phenylpropan-2-yl)piperazine-2,6-dione
SMILESCC(Cc1ccccc1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C13H16N2O2/c1-10(7-11-5-3-2-4-6-11)15-8-12(16)14-13(17)9-15/h2-6,10H,7-9H2,1H3,(H,14,16,17)
InChIKeyMAIGEWFAPAFOIB-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.58
Rot. Bonds3

About 4-(1-phenylpropan-2-yl)piperazine-2,6-dione

4-(1-phenylpropan-2-yl)piperazine-2,6-dione (PubChem CID 63788386) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(1-phenylpropan-2-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(1-phenylpropan-2-yl)piperazine-2,6-dione
PubChem CID63788386
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(1-phenylpropan-2-yl)piperazine-2,6-dione
SMILESCC(Cc1ccccc1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C13H16N2O2/c1-10(7-11-5-3-2-4-6-11)15-8-12(16)14-13(17)9-15/h2-6,10H,7-9H2,1H3,(H,14,16,17)
InChIKeyMAIGEWFAPAFOIB-UHFFFAOYSA-N
XLogP0.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione
CID 63789266
1-(1-phenylpropan-2-yl)piperazine-2,5-dione
CID 64955615
1-(1-phenylpropan-2-yl)piperidine
CID 11321650
5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione
CID 79777283
1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64970610
4-[(2R)-1-phenylpropan-2-yl]morpholine
CID 71110957
3-[(2S)-1-phenylpropan-2-yl]-3-azaspiro[5.5]undecane
CID 125489630
3,7-dimethyl-1-(1-phenylpropan-2-yl)-1,5-diazocane
CID 55151237
4-[2-(aminomethyl)-3-phenylpropanoyl]piperazine-2,6-dione
CID 66082928
2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
CID 1121128
4-[2-(3,5-dioxopiperazin-1-yl)propyl]piperazine-2,6-dione;platinum(4+);chloride
CID 54611902
1-(1-phenylpropan-2-yl)piperidine-4-carboxylic acid
CID 65053936

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylpropan-2-yl)piperazine-2,6-dione?
The IUPAC name of 4-(1-phenylpropan-2-yl)piperazine-2,6-dione (CID 63788386) is 4-(1-phenylpropan-2-yl)piperazine-2,6-dione.
What is the SMILES notation for 4-(1-phenylpropan-2-yl)piperazine-2,6-dione?
The canonical SMILES for 4-(1-phenylpropan-2-yl)piperazine-2,6-dione is CC(Cc1ccccc1)N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(1-phenylpropan-2-yl)piperazine-2,6-dione?
The InChIKey is MAIGEWFAPAFOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10(7-11-5-3-2-4-6-11)15-8-12(16)14-13(17)9-15/h2-6,10H,7-9H2,1H3,(H,14,16,17).
What are the key properties of 4-(1-phenylpropan-2-yl)piperazine-2,6-dione?
4-(1-phenylpropan-2-yl)piperazine-2,6-dione has a molecular weight of 232.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylpropan-2-yl)piperazine-2,6-dione is sourced from PubChem (CID 63788386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).