4-(2-phenoxyacetyl)piperazin-2-one

C12H14N2O3 — CID 833616

IUPAC4-(2-phenoxyacetyl)piperazin-2-one
SMILESO=C1CN(C(=O)COc2ccccc2)CCN1
InChIInChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)9-17-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
InChIKeyVQOCCTAPSDVOOO-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.02
Rot. Bonds3

About 4-(2-phenoxyacetyl)piperazin-2-one

4-(2-phenoxyacetyl)piperazin-2-one (PubChem CID 833616) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(2-phenoxyacetyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-phenoxyacetyl)piperazin-2-one
PubChem CID833616
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-(2-phenoxyacetyl)piperazin-2-one
SMILESO=C1CN(C(=O)COc2ccccc2)CCN1
InChIInChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)9-17-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15)
InChIKeyVQOCCTAPSDVOOO-UHFFFAOYSA-N
XLogP0.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyacetyl)piperazin-2-one?
The IUPAC name of 4-(2-phenoxyacetyl)piperazin-2-one (CID 833616) is 4-(2-phenoxyacetyl)piperazin-2-one.
What is the SMILES notation for 4-(2-phenoxyacetyl)piperazin-2-one?
The canonical SMILES for 4-(2-phenoxyacetyl)piperazin-2-one is O=C1CN(C(=O)COc2ccccc2)CCN1.
What is the InChIKey of 4-(2-phenoxyacetyl)piperazin-2-one?
The InChIKey is VQOCCTAPSDVOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11-8-14(7-6-13-11)12(16)9-17-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,15).
What are the key properties of 4-(2-phenoxyacetyl)piperazin-2-one?
4-(2-phenoxyacetyl)piperazin-2-one has a molecular weight of 234.25 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyacetyl)piperazin-2-one is sourced from PubChem (CID 833616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).