1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide

C16H21FN2O4S — CID 72937364

IUPAC1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O4S/c1-12(20)19-9-2-3-13(11-19)16(21)18-8-10-24(22,23)15-6-4-14(17)5-7-15/h4-7,13H,2-3,8-11H2,1H3,(H,18,21)
InChIKeyCJQYOQVFDGXVTQ-UHFFFAOYSA-N
MW356.42 g/mol
LogP0.97
Rot. Bonds5

About 1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide

1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide (PubChem CID 72937364) has the molecular formula C16H21FN2O4S and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide
PubChem CID72937364
Molecular FormulaC16H21FN2O4S
Molecular Weight356.42 g/mol
Exact Mass356.12
IUPAC Name1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O4S/c1-12(20)19-9-2-3-13(11-19)16(21)18-8-10-24(22,23)15-6-4-14(17)5-7-15/h4-7,13H,2-3,8-11H2,1H3,(H,18,21)
InChIKeyCJQYOQVFDGXVTQ-UHFFFAOYSA-N
XLogP0.97
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-ethyl-N-[2-(4-fluorophenyl)sulfonylethyl]-6-oxopiperidine-3-carboxamide
CID 97156286
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
1-(4-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119499977
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)sulfonylbutanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479934
N-[2-(4-fluorophenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 155510027
(3S)-N-[2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9210573
3-N-[3-(4-fluorophenyl)propyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 74249959
N-[3-(4-fluorophenyl)propyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 133168061
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856
(3R)-1-acetyl-N-[2-(4-fluorophenyl)-2-methylpropyl]pyrrolidine-3-carboxamide
CID 92633544
(3R)-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 27539403

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide (CID 72937364) is 1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NCCS(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide?
The InChIKey is CJQYOQVFDGXVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4S/c1-12(20)19-9-2-3-13(11-19)16(21)18-8-10-24(22,23)15-6-4-14(17)5-7-15/h4-7,13H,2-3,8-11H2,1H3,(H,18,21).
What are the key properties of 1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide?
1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide has a molecular weight of 356.42 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(4-fluorophenyl)sulfonylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 72937364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).