1-(3-phenoxypropyl)piperazine-2,5-dione

C13H16N2O3 — CID 64873257

IUPAC1-(3-phenoxypropyl)piperazine-2,5-dione
SMILESO=C1CN(CCCOc2ccccc2)C(=O)CN1
InChIInChI=1S/C13H16N2O3/c16-12-10-15(13(17)9-14-12)7-4-8-18-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,16)
InChIKeyNEXHJUDSKCIFDE-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.41
Rot. Bonds5

About 1-(3-phenoxypropyl)piperazine-2,5-dione

1-(3-phenoxypropyl)piperazine-2,5-dione (PubChem CID 64873257) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(3-phenoxypropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-phenoxypropyl)piperazine-2,5-dione
PubChem CID64873257
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(3-phenoxypropyl)piperazine-2,5-dione
SMILESO=C1CN(CCCOc2ccccc2)C(=O)CN1
InChIInChI=1S/C13H16N2O3/c16-12-10-15(13(17)9-14-12)7-4-8-18-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,16)
InChIKeyNEXHJUDSKCIFDE-UHFFFAOYSA-N
XLogP0.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-(2-phenoxyethyl)piperazine-2,5-dione
CID 64878650
azane;1-butylpiperazine-2,5-dione
CID 174744496
1-(4-aminobutyl)piperazine-2,5-dione
CID 54292363
1-(2-phenoxyethyl)piperazine-2,6-dione
CID 66062056
1-[2-(3-methoxypropoxy)ethyl]piperazine-2,5-dione
CID 103184626
ethane;1-propylpiperazine-2,5-dione
CID 165138491
1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
CID 64874237
1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one
CID 115576428
3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione
CID 64878643
4-[3-(2,4-dioxoimidazolidin-1-yl)propoxy]benzaldehyde
CID 167995684
1-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine-2,5-dione
CID 64873258
3-[3-(4-phenoxyphenoxy)propyl]-1,2-dihydrobenzimidazole
CID 67648219

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypropyl)piperazine-2,5-dione?
The IUPAC name of 1-(3-phenoxypropyl)piperazine-2,5-dione (CID 64873257) is 1-(3-phenoxypropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-phenoxypropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-phenoxypropyl)piperazine-2,5-dione is O=C1CN(CCCOc2ccccc2)C(=O)CN1.
What is the InChIKey of 1-(3-phenoxypropyl)piperazine-2,5-dione?
The InChIKey is NEXHJUDSKCIFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12-10-15(13(17)9-14-12)7-4-8-18-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,16).
What are the key properties of 1-(3-phenoxypropyl)piperazine-2,5-dione?
1-(3-phenoxypropyl)piperazine-2,5-dione has a molecular weight of 248.28 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypropyl)piperazine-2,5-dione is sourced from PubChem (CID 64873257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).