[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone

C18H19FN2OS — CID 120737064

IUPAC[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1
InChIInChI=1S/C18H19FN2OS/c1-23-16-7-5-13(6-8-16)18(22)21-10-9-20-12-17(21)14-3-2-4-15(19)11-14/h2-8,11,17,20H,9-10,12H2,1H3
InChIKeyQVLYFQORIJEWTR-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.33
Rot. Bonds3

About [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone

[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone (PubChem CID 120737064) has the molecular formula C18H19FN2OS and a molecular weight of 330.43 g/mol. Its IUPAC name is [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
PubChem CID120737064
Molecular FormulaC18H19FN2OS
Molecular Weight330.43 g/mol
Exact Mass330.12
IUPAC Name[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
SMILESCSc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1
InChIInChI=1S/C18H19FN2OS/c1-23-16-7-5-13(6-8-16)18(22)21-10-9-20-12-17(21)14-3-2-4-15(19)11-14/h2-8,11,17,20H,9-10,12H2,1H3
InChIKeyQVLYFQORIJEWTR-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120736229
[2-(3-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120736705
2,3-dihydro-1H-inden-5-yl-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737068
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 120736657
[4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737828
3-[2-(3-fluorophenyl)piperazine-1-carbonyl]-N,N-dimethylbenzamide
CID 120737949
(3-fluorophenyl)-[(2R)-2-phenylpiperazin-1-yl]methanone
CID 94997806
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 120738086

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
The IUPAC name of [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone (CID 120737064) is [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone is CSc1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1.
What is the InChIKey of [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
The InChIKey is QVLYFQORIJEWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2OS/c1-23-16-7-5-13(6-8-16)18(22)21-10-9-20-12-17(21)14-3-2-4-15(19)11-14/h2-8,11,17,20H,9-10,12H2,1H3.
What are the key properties of [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone?
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone has a molecular weight of 330.43 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 120737064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).