Details of the Drug

General Information of Drug (ID: DMRZOVP)

Drug Name

(+/-)-threo-Methylphenidate amide

Synonyms

UNII-HS1P4T2LCV; HS1P4T2LCV; CHEMBL1253490; 160707-37-9; 50288-62-5; SCHEMBL14453323; ZINC5934431; BDBM50327105; D-threo-; A-Phenyl-2-piperidineacetamide; AJ-55250; AR,2R)-; FT-0673813; FT-0673810; (D,L)-threo-; (alphaR,2R)-alpha-Phenyl-2-piperidineacetamide; AR,2R)-rel-; (D,L)-threo-alpha-Phenyl-2-piperidineacetamide; alpha-Phenyl-2-piperidineacetamide, threo-(+)-

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)

218.29

Logarithm of the Partition Coefficient (xlogp)

-0.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C13H18N2O
IUPAC Name: (2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetamide
Canonical SMILES: C1CCN[C@H](C1)[C@@H](C2=CC=CC=C2)C(=O)N
InChI: InChI=1S/C13H18N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-3,6-7,11-12,15H,4-5,8-9H2,(H2,14,16)/t11-,12-/m1/s1
InChIKey: LJLMNWPXAYKPGV-VXGBXAGGSA-N