1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide

C16H24FN3O4S — CID 133239624

IUPAC1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCC(C(=O)NCCOc2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN3O4S/c1-19(2)25(22,23)20-10-3-4-13(12-20)16(21)18-9-11-24-15-7-5-14(17)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,21)
InChIKeyOMXHBXQRVZDSDX-UHFFFAOYSA-N
MW373.45 g/mol
LogP0.84
Rot. Bonds7

About 1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide

1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide (PubChem CID 133239624) has the molecular formula C16H24FN3O4S and a molecular weight of 373.45 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide
PubChem CID133239624
Molecular FormulaC16H24FN3O4S
Molecular Weight373.45 g/mol
Exact Mass373.15
IUPAC Name1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCC(C(=O)NCCOc2ccc(F)cc2)C1
InChIInChI=1S/C16H24FN3O4S/c1-19(2)25(22,23)20-10-3-4-13(12-20)16(21)18-9-11-24-15-7-5-14(17)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,21)
InChIKeyOMXHBXQRVZDSDX-UHFFFAOYSA-N
XLogP0.84
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylsulfamoyl)-N-[2-(4-pyrrolidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide
CID 133240658
(3R)-1-(dimethylsulfamoyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 28955789
(3S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 98636720
(3R)-N-[2-(4-methylphenoxy)ethyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 95056916
1-methylsulfonyl-N-[2-(4-piperidin-1-ylsulfonylphenoxy)ethyl]piperidine-3-carboxamide
CID 133234738
(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 9224222
(3S)-N-[3-(4-fluorophenoxy)propyl]-1-propanoylpiperidine-3-carboxamide
CID 95158709
N-ethyl-1-[(4-fluorophenyl)-methylsulfamoyl]piperidine-3-carboxamide
CID 22552921
1-(4-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119499977
1-(4-chlorophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 55511669
1-(4-bromophenyl)sulfonyl-N-[2-(4-methoxyphenoxy)ethyl]piperidine-3-carboxamide
CID 24637927
(3S)-N-[2-(3-chloro-4-methylphenoxy)ethyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 125071394

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide (CID 133239624) is 1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide is CN(C)S(=O)(=O)N1CCCC(C(=O)NCCOc2ccc(F)cc2)C1.
What is the InChIKey of 1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide?
The InChIKey is OMXHBXQRVZDSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O4S/c1-19(2)25(22,23)20-10-3-4-13(12-20)16(21)18-9-11-24-15-7-5-14(17)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3,(H,18,21).
What are the key properties of 1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide?
1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N-[2-(4-fluorophenoxy)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 133239624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).