Details of the Drug

General Information of Drug (ID: DMKQZB7)

Drug Name

1-(piperidin-4-ylmethyl)pyridin-2(1H)-one

Synonyms

1-(piperidin-4-ylmethyl)pyridin-2(1H)-one; 2(1H)-Pyridinone, 1-(4-piperidinylmethyl)-; CHEMBL206887; SCHEMBL3217361; MolPort-008-735-437; ZINC13686304; AKOS010953288; 888729-52-0; 1-(piperidin-4-ylmethyl)-1,2-dihydropyridin-2-one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

192.26

Logarithm of the Partition Coefficient (xlogp)

0.7

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C11H16N2O
IUPAC Name: 1-(piperidin-4-ylmethyl)pyridin-2-one
Canonical SMILES: C1CNCCC1CN2C=CC=CC2=O
InChI: InChI=1S/C11H16N2O/c14-11-3-1-2-8-13(11)9-10-4-6-12-7-5-10/h1-3,8,10,12H,4-7,9H2
InChIKey: WLPUWPRHPIZJQK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 44410571
TTD ID: D0QE7J

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neuronal acetylcholine receptor alpha-2 (CHRNA2)	TTF4E0J	ACHA2_HUMAN	Inhibitor	[1]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis and pharmacological evaluation of novel 9- and 10-substituted cytisine derivatives. Nicotinic ligands of enhanced subtype selectivity. J Med Chem. 2006 May 4;49(9):2673-6.