N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide

C14H19FN2OS — CID 114626456

IUPACN-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)NCc1ccc(F)cc1
InChIInChI=1S/C14H19FN2OS/c15-12-3-1-11(2-4-12)9-17-14(18)10-19-13-5-7-16-8-6-13/h1-4,13,16H,5-10H2,(H,17,18)
InChIKeyWSLUCHDDQDQFBX-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.93
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide

N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114626456) has the molecular formula C14H19FN2OS and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114626456
Molecular FormulaC14H19FN2OS
Molecular Weight282.38 g/mol
Exact Mass282.12
IUPAC NameN-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESO=C(CSC1CCNCC1)NCc1ccc(F)cc1
InChIInChI=1S/C14H19FN2OS/c15-12-3-1-11(2-4-12)9-17-14(18)10-19-13-5-7-16-8-6-13/h1-4,13,16H,5-10H2,(H,17,18)
InChIKeyWSLUCHDDQDQFBX-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide 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

N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626861
2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 64616743
N-benzyl-2-piperidin-3-ylsulfanylacetamide
CID 84754963
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
N-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627831
2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 78497102
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-(5-fluoro-2-nitrophenyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627881
2-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60647225
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-piperidin-4-ylsulfanylacetamide
CID 104940416
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627772

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide (CID 114626456) is N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide is O=C(CSC1CCNCC1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is WSLUCHDDQDQFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2OS/c15-12-3-1-11(2-4-12)9-17-14(18)10-19-13-5-7-16-8-6-13/h1-4,13,16H,5-10H2,(H,17,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide?
N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 282.38 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114626456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).