1-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

C17H26FN3O3S — CID 3240785

IUPAC1-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O3S/c1-3-20(4-2)25(23,24)21-11-9-15(10-12-21)17(22)19-13-14-5-7-16(18)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyDRRTYKOPTBUFSY-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.74
Rot. Bonds7

About 1-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

1-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (PubChem CID 3240785) has the molecular formula C17H26FN3O3S and a molecular weight of 371.48 g/mol. Its IUPAC name is 1-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
PubChem CID3240785
Molecular FormulaC17H26FN3O3S
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name1-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
SMILESCCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H26FN3O3S/c1-3-20(4-2)25(23,24)21-11-9-15(10-12-21)17(22)19-13-14-5-7-16(18)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3,(H,19,22)
InChIKeyDRRTYKOPTBUFSY-UHFFFAOYSA-N
XLogP1.74
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide (CID 3240785) is 1-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is CCN(CC)S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
The InChIKey is DRRTYKOPTBUFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3S/c1-3-20(4-2)25(23,24)21-11-9-15(10-12-21)17(22)19-13-14-5-7-16(18)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3,(H,19,22).
What are the key properties of 1-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide?
1-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 3240785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).