N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide

C15H22FN3O3S — CID 22552921

IUPACN-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(S(=O)(=O)N(C)c2ccc(F)cc2)C1
InChIInChI=1S/C15H22FN3O3S/c1-3-17-15(20)12-5-4-10-19(11-12)23(21,22)18(2)14-8-6-13(16)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKeyGCYVFIKALHWVDI-UHFFFAOYSA-N
MW343.42 g/mol
LogP1.35
Rot. Bonds5

About N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide

N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide (PubChem CID 22552921) has the molecular formula C15H22FN3O3S and a molecular weight of 343.42 g/mol. Its IUPAC name is N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
PubChem CID22552921
Molecular FormulaC15H22FN3O3S
Molecular Weight343.42 g/mol
Exact Mass343.14
IUPAC NameN-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
SMILESCCNC(=O)C1CCCN(S(=O)(=O)N(C)c2ccc(F)cc2)C1
InChIInChI=1S/C15H22FN3O3S/c1-3-17-15(20)12-5-4-10-19(11-12)23(21,22)18(2)14-8-6-13(16)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKeyGCYVFIKALHWVDI-UHFFFAOYSA-N
XLogP1.35
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-cyclopentyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
CID 92687132
(3R)-N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
CID 92687131
N-cycloheptyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
CID 22552907
1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide
CID 133239624
(3S)-N-[(4-fluorophenyl)methyl]-1-[(3R)-3-[(4-fluorophenyl)methylcarbamoyl]piperidin-1-yl]sulfonylpiperidine-3-carboxamide
CID 98222096
1-(4-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119499977
(3R)-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 27539403
1-(azepan-1-ylsulfonyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 20911306
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 39730085
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 125049657
1-[(4-chlorophenyl)methylsulfonyl]-N-ethylpiperidine-3-carboxamide
CID 53289476

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide (CID 22552921) is N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide is CCNC(=O)C1CCCN(S(=O)(=O)N(C)c2ccc(F)cc2)C1.
What is the InChIKey of N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide?
The InChIKey is GCYVFIKALHWVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3S/c1-3-17-15(20)12-5-4-10-19(11-12)23(21,22)18(2)14-8-6-13(16)7-9-14/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,20).
What are the key properties of N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide?
N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide is sourced from PubChem (CID 22552921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).