Details of the Drug

General Information of Drug (ID: DMVRN0I)

Drug Name

1-(piperidin-3-ylmethyl)pyridin-2(1H)-one

Synonyms

1-(piperidin-3-ylmethyl)pyridin-2(1H)-one; 820231-74-1; 2(1H)-Pyridinone, 1-(3-piperidinylmethyl)-; CHEMBL205267; SCHEMBL2503319; CTK3E3069; DTXSID80658785; CRXGPVZZFUWGAF-UHFFFAOYSA-N; AKOS010944098; 1-Piperidin-3-ylmethyl-1H-pyridin-2-one; 1-[(Piperidin-3-yl)methyl]pyridin-2(1H)-one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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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-3-ylmethyl)pyridin-2-one
Canonical SMILES: C1CC(CNC1)CN2C=CC=CC2=O
InChI: InChI=1S/C11H16N2O/c14-11-5-1-2-7-13(11)9-10-4-3-6-12-8-10/h1-2,5,7,10,12H,3-4,6,8-9H2
InChIKey: CRXGPVZZFUWGAF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 44410533
CAS Number: 820231-74-1
TTD ID: D0C7GB

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]

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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.