1-(4-propanoylphenyl)piperidin-4-one

C14H17NO2 — CID 83779934

IUPAC1-(4-propanoylphenyl)piperidin-4-one
SMILESCCC(=O)c1ccc(N2CCC(=O)CC2)cc1
InChIInChI=1S/C14H17NO2/c1-2-14(17)11-3-5-12(6-4-11)15-9-7-13(16)8-10-15/h3-6H,2,7-10H2,1H3
InChIKeyCUBSCGXTZUOCCS-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.45
Rot. Bonds3

About 1-(4-propanoylphenyl)piperidin-4-one

1-(4-propanoylphenyl)piperidin-4-one (PubChem CID 83779934) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(4-propanoylphenyl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-propanoylphenyl)piperidin-4-one
PubChem CID83779934
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-(4-propanoylphenyl)piperidin-4-one
SMILESCCC(=O)c1ccc(N2CCC(=O)CC2)cc1
InChIInChI=1S/C14H17NO2/c1-2-14(17)11-3-5-12(6-4-11)15-9-7-13(16)8-10-15/h3-6H,2,7-10H2,1H3
InChIKeyCUBSCGXTZUOCCS-UHFFFAOYSA-N
XLogP2.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propanoylphenyl)piperidin-4-one?
The IUPAC name of 1-(4-propanoylphenyl)piperidin-4-one (CID 83779934) is 1-(4-propanoylphenyl)piperidin-4-one.
What is the SMILES notation for 1-(4-propanoylphenyl)piperidin-4-one?
The canonical SMILES for 1-(4-propanoylphenyl)piperidin-4-one is CCC(=O)c1ccc(N2CCC(=O)CC2)cc1.
What is the InChIKey of 1-(4-propanoylphenyl)piperidin-4-one?
The InChIKey is CUBSCGXTZUOCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-14(17)11-3-5-12(6-4-11)15-9-7-13(16)8-10-15/h3-6H,2,7-10H2,1H3.
What are the key properties of 1-(4-propanoylphenyl)piperidin-4-one?
1-(4-propanoylphenyl)piperidin-4-one has a molecular weight of 231.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propanoylphenyl)piperidin-4-one is sourced from PubChem (CID 83779934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).