2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one

C21H23NO3 — CID 3059679

IUPAC2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1cccc(C(=O)c2ccccc2)c1)C(=O)N1CCCCC1
InChIInChI=1S/C21H23NO3/c1-16(21(24)22-13-6-3-7-14-22)25-19-12-8-11-18(15-19)20(23)17-9-4-2-5-10-17/h2,4-5,8-12,15-16H,3,6-7,13-14H2,1H3
InChIKeyQMNOZJIYDNZIST-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.70
Rot. Bonds5

About 2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one

2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one (PubChem CID 3059679) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one
PubChem CID3059679
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one
SMILESCC(Oc1cccc(C(=O)c2ccccc2)c1)C(=O)N1CCCCC1
InChIInChI=1S/C21H23NO3/c1-16(21(24)22-13-6-3-7-14-22)25-19-12-8-11-18(15-19)20(23)17-9-4-2-5-10-17/h2,4-5,8-12,15-16H,3,6-7,13-14H2,1H3
InChIKeyQMNOZJIYDNZIST-UHFFFAOYSA-N
XLogP3.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one (CID 3059679) is 2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one is CC(Oc1cccc(C(=O)c2ccccc2)c1)C(=O)N1CCCCC1.
What is the InChIKey of 2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one?
The InChIKey is QMNOZJIYDNZIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c1-16(21(24)22-13-6-3-7-14-22)25-19-12-8-11-18(15-19)20(23)17-9-4-2-5-10-17/h2,4-5,8-12,15-16H,3,6-7,13-14H2,1H3.
What are the key properties of 2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one?
2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one has a molecular weight of 337.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylphenoxy)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 3059679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).