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

C17H17FN2O5S — CID 166258371

IUPAC2-[4-(3-fluorophenoxy)piperidin-1-yl]sulfonylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(S(=O)(=O)N2CCC(Oc3cccc(F)c3)CC2)c1
InChIInChI=1S/C17H17FN2O5S/c18-13-2-1-3-15(11-13)25-14-5-8-20(9-6-14)26(23,24)16-10-12(17(21)22)4-7-19-16/h1-4,7,10-11,14H,5-6,8-9H2,(H,21,22)
InChIKeyFIBBBRAPHRJFGY-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.15
Rot. Bonds5

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

2-[4-(3-fluorophenoxy)piperidin-1-yl]sulfonylpyridine-4-carboxylic acid (PubChem CID 166258371) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[4-(3-fluorophenoxy)piperidin-1-yl]sulfonylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3-fluorophenoxy)piperidin-1-yl]sulfonylpyridine-4-carboxylic acid
PubChem CID166258371
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC Name2-[4-(3-fluorophenoxy)piperidin-1-yl]sulfonylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(S(=O)(=O)N2CCC(Oc3cccc(F)c3)CC2)c1
InChIInChI=1S/C17H17FN2O5S/c18-13-2-1-3-15(11-13)25-14-5-8-20(9-6-14)26(23,24)16-10-12(17(21)22)4-7-19-16/h1-4,7,10-11,14H,5-6,8-9H2,(H,21,22)
InChIKeyFIBBBRAPHRJFGY-UHFFFAOYSA-N
XLogP2.15
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3-fluorophenoxy)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95811364
3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70779246
2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055245
2-[4-(3-fluorophenoxy)piperidin-1-yl]butanoic acid
CID 138037841
4-(3-fluorophenoxy)cyclohexan-1-one
CID 83702247
[4-(3-fluorophenoxy)piperidin-1-yl]-[2-(1H-imidazol-2-yl)phenyl]methanone
CID 70771795
1-(benzenesulfonyl)-4-(3-chlorophenoxy)piperidine
CID 110358894
[2-(difluoromethyl)pyrazol-3-yl]-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70729638
2-amino-1-[4-(3-fluorophenoxy)piperidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 154895868
3-(3-fluorophenoxy)cyclohexane-1-carboxylic acid
CID 83842692
3-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]oxybenzoic acid
CID 166295366
3-(1-methoxycarbonylpiperidin-4-yl)oxybenzoic acid
CID 118929960

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenoxy)piperidin-1-yl]sulfonylpyridine-4-carboxylic acid?
The IUPAC name of 2-[4-(3-fluorophenoxy)piperidin-1-yl]sulfonylpyridine-4-carboxylic acid (CID 166258371) is 2-[4-(3-fluorophenoxy)piperidin-1-yl]sulfonylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(3-fluorophenoxy)piperidin-1-yl]sulfonylpyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-(3-fluorophenoxy)piperidin-1-yl]sulfonylpyridine-4-carboxylic acid is O=C(O)c1ccnc(S(=O)(=O)N2CCC(Oc3cccc(F)c3)CC2)c1.
What is the InChIKey of 2-[4-(3-fluorophenoxy)piperidin-1-yl]sulfonylpyridine-4-carboxylic acid?
The InChIKey is FIBBBRAPHRJFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S/c18-13-2-1-3-15(11-13)25-14-5-8-20(9-6-14)26(23,24)16-10-12(17(21)22)4-7-19-16/h1-4,7,10-11,14H,5-6,8-9H2,(H,21,22).
What are the key properties of 2-[4-(3-fluorophenoxy)piperidin-1-yl]sulfonylpyridine-4-carboxylic acid?
2-[4-(3-fluorophenoxy)piperidin-1-yl]sulfonylpyridine-4-carboxylic acid has a molecular weight of 380.40 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenoxy)piperidin-1-yl]sulfonylpyridine-4-carboxylic acid is sourced from PubChem (CID 166258371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).