1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide

C22H24FN5O4S — CID 50814511

IUPAC1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CCN(Cc3noc(-c4ccc(F)cc4)n3)CC2)cc1
InChIInChI=1S/C22H24FN5O4S/c23-18-5-3-17(4-6-18)22-26-20(27-32-22)14-28-11-9-16(10-12-28)21(29)25-13-15-1-7-19(8-2-15)33(24,30)31/h1-8,16H,9-14H2,(H,25,29)(H2,24,30,31)
InChIKeyKNBYSXLKKZLVIG-UHFFFAOYSA-N
MW473.53 g/mol
LogP2.05
Rot. Bonds7

About 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide

1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 50814511) has the molecular formula C22H24FN5O4S and a molecular weight of 473.53 g/mol. Its IUPAC name is 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide
PubChem CID50814511
Molecular FormulaC22H24FN5O4S
Molecular Weight473.53 g/mol
Exact Mass473.15
IUPAC Name1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)C2CCN(Cc3noc(-c4ccc(F)cc4)n3)CC2)cc1
InChIInChI=1S/C22H24FN5O4S/c23-18-5-3-17(4-6-18)22-26-20(27-32-22)14-28-11-9-16(10-12-28)21(29)25-13-15-1-7-19(8-2-15)33(24,30)31/h1-8,16H,9-14H2,(H,25,29)(H2,24,30,31)
InChIKeyKNBYSXLKKZLVIG-UHFFFAOYSA-N
XLogP2.05
TPSA131.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 50814431
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(2-methylphenyl)piperidine-4-carboxamide
CID 46367686
N-(4-fluoro-2-hydroxyphenyl)-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 50814406
N-[(4-fluorophenyl)methyl]-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-4-carboxamide
CID 133482179
N-(2-cyanophenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 46367709
N-benzyl-1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-3-carboxamide
CID 50814453
1-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 38152467
N-(3-chloro-4-methoxyphenyl)-1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperidine-4-carboxamide
CID 46367722
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120750983
5-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 167279716
N-[(4-sulfamoylphenyl)methyl]cycloheptanecarboxamide
CID 10470657
1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 50814395

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide (CID 50814511) is 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)C2CCN(Cc3noc(-c4ccc(F)cc4)n3)CC2)cc1.
What is the InChIKey of 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is KNBYSXLKKZLVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O4S/c23-18-5-3-17(4-6-18)22-26-20(27-32-22)14-28-11-9-16(10-12-28)21(29)25-13-15-1-7-19(8-2-15)33(24,30)31/h1-8,16H,9-14H2,(H,25,29)(H2,24,30,31).
What are the key properties of 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide?
1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 473.53 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(4-sulfamoylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50814511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).