3-(pyridin-2-ylmethylidene)piperidin-4-one

C11H12N2O — CID 90686045

IUPAC3-(pyridin-2-ylmethylidene)piperidin-4-one
SMILESO=C1CCNCC1=Cc1ccccn1
InChIInChI=1S/C11H12N2O/c14-11-4-6-12-8-9(11)7-10-3-1-2-5-13-10/h1-3,5,7,12H,4,6,8H2
InChIKeyFBKRYOASXZRLMG-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.03
Rot. Bonds1

About 3-(pyridin-2-ylmethylidene)piperidin-4-one

3-(pyridin-2-ylmethylidene)piperidin-4-one (PubChem CID 90686045) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethylidene)piperidin-4-one.

Molecular Properties

Compound Name3-(pyridin-2-ylmethylidene)piperidin-4-one
PubChem CID90686045
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-(pyridin-2-ylmethylidene)piperidin-4-one
SMILESO=C1CCNCC1=Cc1ccccn1
InChIInChI=1S/C11H12N2O/c14-11-4-6-12-8-9(11)7-10-3-1-2-5-13-10/h1-3,5,7,12H,4,6,8H2
InChIKeyFBKRYOASXZRLMG-UHFFFAOYSA-N
XLogP1.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-(pyridin-2-ylmethylidene)piperidin-2-one
CID 141437011
3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione
CID 76657528
3-[(2-chlorophenyl)methylidene]piperidin-4-one
CID 175300543
2-[(Z)-piperidin-2-ylidenemethyl]pyridine
CID 19922854
2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 171128800
5-(pyridin-2-ylmethylidene)-6H-cyclopenta[b]thiophen-4-one
CID 4873391
(3E)-3-(pyridin-2-ylmethylidene)piperidine-2-carbaldehyde
CID 175378796
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
3,5-bis[(2-pyridin-2-ylphenyl)methylidene]piperidin-4-one
CID 175902482
cis-(1S,2S)-3,4-bis(pyridin-2-ylmethylidene)cyclohexane-1,2-diamine
CID 122530328
5-methyl-2-(pyridin-2-ylmethylidene)azepane
CID 91988420
(2Z)-2-(pyridin-2-ylmethylidene)-1-benzothiophen-3-one
CID 155262579

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-2-ylmethylidene)piperidin-4-one?
The IUPAC name of 3-(pyridin-2-ylmethylidene)piperidin-4-one (CID 90686045) is 3-(pyridin-2-ylmethylidene)piperidin-4-one.
What is the SMILES notation for 3-(pyridin-2-ylmethylidene)piperidin-4-one?
The canonical SMILES for 3-(pyridin-2-ylmethylidene)piperidin-4-one is O=C1CCNCC1=Cc1ccccn1.
What is the InChIKey of 3-(pyridin-2-ylmethylidene)piperidin-4-one?
The InChIKey is FBKRYOASXZRLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-11-4-6-12-8-9(11)7-10-3-1-2-5-13-10/h1-3,5,7,12H,4,6,8H2.
What are the key properties of 3-(pyridin-2-ylmethylidene)piperidin-4-one?
3-(pyridin-2-ylmethylidene)piperidin-4-one has a molecular weight of 188.23 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethylidene)piperidin-4-one is sourced from PubChem (CID 90686045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).