Details of the Drug

General Information of Drug (ID: DM7U02R)

Drug Name

(3-Chloro-phenyl)-piperazin-1-yl-methanone

Synonyms

100939-90-0; 1-(3-chlorobenzoyl)piperazine; (3-chlorophenyl)(piperazin-1-yl)methanone; (3-Chloro-phenyl)-piperazin-1-yl-methanone; BAS 04443403; (3-Chlorophenyl)(1-piperazinyl)methanone; CHEMBL160911; Methanone, (3-chlorophenyl)-1-piperazinyl-; 1-[(3-chlorophenyl)carbonyl]piperazine; 3-chlorophenyl piperazinyl ketone; AC1LLWSU; AC1Q3I0G; TimTec1_008470; 4-(3-chlorobenzoyl)piperazine; SCHEMBL2733887; 1-(3-Chlorobenzoyl)-piperazine; CTK6H2326; DTXSID70360082; MolPort-000-163-293; FBTDRVSCKFZIQH-UHFFFAOYSA-N; ZINC782987

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)

224.68

Logarithm of the Partition Coefficient (xlogp)

1.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C11H13ClN2O
IUPAC Name: (3-chlorophenyl)-piperazin-1-ylmethanone
Canonical SMILES: C1CN(CCN1)C(=O)C2=CC(=CC=C2)Cl
InChI: InChI=1S/C11H13ClN2O/c12-10-3-1-2-9(8-10)11(15)14-6-4-13-5-7-14/h1-3,8,13H,4-7H2
InChIKey: FBTDRVSCKFZIQH-UHFFFAOYSA-N