2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone

C20H21NO3 — CID 3038920

IUPAC2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone
SMILESO=C(c1ccccc1)c1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H21NO3/c22-19(21-13-5-2-6-14-21)15-24-18-11-9-17(10-12-18)20(23)16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-15H2
InChIKeyKQYSIFIPXCMPLJ-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.31
Rot. Bonds5

About 2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone

2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone (PubChem CID 3038920) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone
PubChem CID3038920
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone
SMILESO=C(c1ccccc1)c1ccc(OCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H21NO3/c22-19(21-13-5-2-6-14-21)15-24-18-11-9-17(10-12-18)20(23)16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-15H2
InChIKeyKQYSIFIPXCMPLJ-UHFFFAOYSA-N
XLogP3.31
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone (CID 3038920) is 2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone is O=C(c1ccccc1)c1ccc(OCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone?
The InChIKey is KQYSIFIPXCMPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c22-19(21-13-5-2-6-14-21)15-24-18-11-9-17(10-12-18)20(23)16-7-3-1-4-8-16/h1,3-4,7-12H,2,5-6,13-15H2.
What are the key properties of 2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone?
2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone has a molecular weight of 323.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenoxy)-1-piperidin-1-ylethanone is sourced from PubChem (CID 3038920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).