3-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylpyridine

C21H26FN3O3S — CID 86264460

IUPAC3-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1
InChIInChI=1S/C21H26FN3O3S/c22-20-5-1-2-6-21(20)28-18-9-12-24(13-10-18)17-7-14-25(15-8-17)29(26,27)19-4-3-11-23-16-19/h1-6,11,16-18H,7-10,12-15H2
InChIKeyQBBDEPAONKDGBW-UHFFFAOYSA-N
MW419.52 g/mol
LogP2.92
Rot. Bonds5

About 3-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylpyridine

3-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylpyridine (PubChem CID 86264460) has the molecular formula C21H26FN3O3S and a molecular weight of 419.52 g/mol. Its IUPAC name is 3-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylpyridine
PubChem CID86264460
Molecular FormulaC21H26FN3O3S
Molecular Weight419.52 g/mol
Exact Mass419.17
IUPAC Name3-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylpyridine
SMILESO=S(=O)(c1cccnc1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1
InChIInChI=1S/C21H26FN3O3S/c22-20-5-1-2-6-21(20)28-18-9-12-24(13-10-18)17-7-14-25(15-8-17)29(26,27)19-4-3-11-23-16-19/h1-6,11,16-18H,7-10,12-15H2
InChIKeyQBBDEPAONKDGBW-UHFFFAOYSA-N
XLogP2.92
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-Methoxyphenyl)sulfonyl]-4-(3-pyridylmethyl)piperazine
CID 828758
4-(4-Fluorophenoxy)-3-pyridinesulfonamide
CID 46703770
N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)pyridine-3-sulfonamide
CID 44431617
N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)phenoxy)piperidin-1-yl)ethyl)cyclohexyl)pyridine-3-sulfonamide
CID 44435099
N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxy-N-pyridin-3-ylbenzenesulfonamide
CID 118526919
4-[3-[3-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonylphenoxy]propyl]morpholine
CID 146380951
4-[3-[4-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonylphenoxy]propyl]morpholine;hydrochloride
CID 153404509
2-(4-Bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine
CID 2526250
1-[[6-(3-Chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 2539884
1-Methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine
CID 24982380
4-ethoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2422567
3-ethoxy-4-fluoro-N-pyridin-4-ylbenzenesulfonamide
CID 6488283

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylpyridine (CID 86264460) is 3-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylpyridine is O=S(=O)(c1cccnc1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1.
What is the InChIKey of 3-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylpyridine?
The InChIKey is QBBDEPAONKDGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3S/c22-20-5-1-2-6-21(20)28-18-9-12-24(13-10-18)17-7-14-25(15-8-17)29(26,27)19-4-3-11-23-16-19/h1-6,11,16-18H,7-10,12-15H2.
What are the key properties of 3-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylpyridine?
3-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylpyridine has a molecular weight of 419.52 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 86264460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).