4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide

C20H23F2N3O3S — CID 122430795

IUPAC4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2cncc(F)c2)CC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C20H23F2N3O3S/c1-20(2,29(27,28)18-5-3-4-15(21)11-18)14-6-8-25(9-7-14)19(26)24-17-10-16(22)12-23-13-17/h3-5,10-14H,6-9H2,1-2H3,(H,24,26)
InChIKeyCOQJXAWCMAMNOR-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.86
Rot. Bonds4

About 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide

4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 122430795) has the molecular formula C20H23F2N3O3S and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide
PubChem CID122430795
Molecular FormulaC20H23F2N3O3S
Molecular Weight423.49 g/mol
Exact Mass423.14
IUPAC Name4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide
SMILESCC(C)(C1CCN(C(=O)Nc2cncc(F)c2)CC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C20H23F2N3O3S/c1-20(2,29(27,28)18-5-3-4-15(21)11-18)14-6-8-25(9-7-14)19(26)24-17-10-16(22)12-23-13-17/h3-5,10-14H,6-9H2,1-2H3,(H,24,26)
InChIKeyCOQJXAWCMAMNOR-UHFFFAOYSA-N
XLogP3.86
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide
CID 122430747
tert-butyl 4-[[4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carbonyl]amino]pyrazole-1-carboxylate
CID 122424446
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine;4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide;phenyl 2-pyridazin-4-ylacetate
CID 160806713
4-[difluoro-(3-fluorophenyl)sulfonylmethyl]-N-[2-(1-hydroxyethyl)-4-pyridinyl]piperidine-1-carboxamide
CID 139451750
deuterio(fluoro)methane;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(6-methylpyridazin-4-yl)piperidine-1-carboxamide;4-[1-fluoro-1-(3-methylphenyl)sulfonylethyl]piperidine;6-methylpyridazine-4-carboxylic acid
CID 159046087
4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 122430326
5-[4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidin-1-yl]-2-methylpyrimidine
CID 155253220
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-4-hydroxy-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 122430517
4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine;4-[1-fluoro-1-(3-fluorophenyl)sulfonylethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide;phenyl 2-pyridazin-4-ylacetate
CID 157096892
N-(5-fluoro-3-pyridinyl)morpholine-4-carboxamide
CID 110872339
4-[difluoro-(3-fluorophenyl)sulfonylmethyl]piperidine-1-carboxylic acid
CID 122424290
4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 134368515

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide (CID 122430795) is 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide is CC(C)(C1CCN(C(=O)Nc2cncc(F)c2)CC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is COQJXAWCMAMNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3S/c1-20(2,29(27,28)18-5-3-4-15(21)11-18)14-6-8-25(9-7-14)19(26)24-17-10-16(22)12-23-13-17/h3-5,10-14H,6-9H2,1-2H3,(H,24,26).
What are the key properties of 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide?
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 122430795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).