1-(3-pyridin-4-ylpropanoyl)piperidin-4-one

C13H16N2O2 — CID 82475134

IUPAC1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)CCc2ccncc2)CC1
InChIInChI=1S/C13H16N2O2/c16-12-5-9-15(10-6-12)13(17)2-1-11-3-7-14-8-4-11/h3-4,7-8H,1-2,5-6,9-10H2
InChIKeyAJSVPGHTIILMDB-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.21
Rot. Bonds3

About 1-(3-pyridin-4-ylpropanoyl)piperidin-4-one

1-(3-pyridin-4-ylpropanoyl)piperidin-4-one (PubChem CID 82475134) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(3-pyridin-4-ylpropanoyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
PubChem CID82475134
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
SMILESO=C1CCN(C(=O)CCc2ccncc2)CC1
InChIInChI=1S/C13H16N2O2/c16-12-5-9-15(10-6-12)13(17)2-1-11-3-7-14-8-4-11/h3-4,7-8H,1-2,5-6,9-10H2
InChIKeyAJSVPGHTIILMDB-UHFFFAOYSA-N
XLogP1.21
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one
CID 62031591
1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one
CID 60912714
3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 123982868
1-[3-(3-methylphenyl)propanoyl]piperidin-4-one
CID 55024615
3-(4-ethylphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 110709163
1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one
CID 60684459
4,4-dimethyl-1-(3-pyridin-4-ylpropanoyl)piperidin-3-one
CID 115276831
1-[3-(4-ethylphenyl)propanoyl]pyrrolidin-3-one
CID 112536079
1-[4-(2,2-difluoro-3-hydroxypropyl)piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 126834571
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95613223
1-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 119934303
1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 107224305

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-4-ylpropanoyl)piperidin-4-one?
The IUPAC name of 1-(3-pyridin-4-ylpropanoyl)piperidin-4-one (CID 82475134) is 1-(3-pyridin-4-ylpropanoyl)piperidin-4-one.
What is the SMILES notation for 1-(3-pyridin-4-ylpropanoyl)piperidin-4-one?
The canonical SMILES for 1-(3-pyridin-4-ylpropanoyl)piperidin-4-one is O=C1CCN(C(=O)CCc2ccncc2)CC1.
What is the InChIKey of 1-(3-pyridin-4-ylpropanoyl)piperidin-4-one?
The InChIKey is AJSVPGHTIILMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-12-5-9-15(10-6-12)13(17)2-1-11-3-7-14-8-4-11/h3-4,7-8H,1-2,5-6,9-10H2.
What are the key properties of 1-(3-pyridin-4-ylpropanoyl)piperidin-4-one?
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one has a molecular weight of 232.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-4-ylpropanoyl)piperidin-4-one is sourced from PubChem (CID 82475134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).