3-(2-pyridin-2-ylethyl)piperidin-2-one

C12H16N2O — CID 104679210

IUPAC3-(2-pyridin-2-ylethyl)piperidin-2-one
SMILESO=C1NCCCC1CCc1ccccn1
InChIInChI=1S/C12H16N2O/c15-12-10(4-3-9-14-12)6-7-11-5-1-2-8-13-11/h1-2,5,8,10H,3-4,6-7,9H2,(H,14,15)
InChIKeyPKEPDWQJIYFIGZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.54
Rot. Bonds3

About 3-(2-pyridin-2-ylethyl)piperidin-2-one

3-(2-pyridin-2-ylethyl)piperidin-2-one (PubChem CID 104679210) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylethyl)piperidin-2-one.

Molecular Properties

Compound Name3-(2-pyridin-2-ylethyl)piperidin-2-one
PubChem CID104679210
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(2-pyridin-2-ylethyl)piperidin-2-one
SMILESO=C1NCCCC1CCc1ccccn1
InChIInChI=1S/C12H16N2O/c15-12-10(4-3-9-14-12)6-7-11-5-1-2-8-13-11/h1-2,5,8,10H,3-4,6-7,9H2,(H,14,15)
InChIKeyPKEPDWQJIYFIGZ-UHFFFAOYSA-N
XLogP1.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-phenylethyl)piperidin-2-one
CID 10798202
2-(2-pyridin-2-ylethyl)cyclohexan-1-one
CID 12813906
6-(2-pyridin-2-ylethyl)-1,4,8,11-tetrazacyclotetradecane-5,7,12-trione
CID 23422503
3-(pyridin-2-ylmethylamino)piperidin-2-one
CID 62092104
(3R)-3-(pyridin-2-ylmethyl)-1,4-diazepan-2-one
CID 71421611
3-(pyridin-2-ylmethylamino)azepan-2-one
CID 43199271
(3R)-3-(3-phenylmethoxypropyl)piperidin-2-one
CID 118421052
2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)ethanesulfonamide
CID 114794213
3-(pyridin-2-ylmethyl)piperazin-2-one
CID 55253321
3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]azepan-2-one
CID 104679671
3,6-bis(2-pyridin-2-ylethyl)-1,2,4,5-tetrazine
CID 162747198
3-(2-hydroxy-2-phenylethyl)piperidin-2-one
CID 104679238

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylethyl)piperidin-2-one?
The IUPAC name of 3-(2-pyridin-2-ylethyl)piperidin-2-one (CID 104679210) is 3-(2-pyridin-2-ylethyl)piperidin-2-one.
What is the SMILES notation for 3-(2-pyridin-2-ylethyl)piperidin-2-one?
The canonical SMILES for 3-(2-pyridin-2-ylethyl)piperidin-2-one is O=C1NCCCC1CCc1ccccn1.
What is the InChIKey of 3-(2-pyridin-2-ylethyl)piperidin-2-one?
The InChIKey is PKEPDWQJIYFIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12-10(4-3-9-14-12)6-7-11-5-1-2-8-13-11/h1-2,5,8,10H,3-4,6-7,9H2,(H,14,15).
What are the key properties of 3-(2-pyridin-2-ylethyl)piperidin-2-one?
3-(2-pyridin-2-ylethyl)piperidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylethyl)piperidin-2-one is sourced from PubChem (CID 104679210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).