4-[[5-(2-fluoro-4-methylsulfonylanilino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid

C18H20FN3O5S — CID 141132610

IUPAC4-[[5-(2-fluoro-4-methylsulfonylanilino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid
SMILESCS(=O)(=O)c1ccc(Nc2cncc(OC3CCN(C(=O)O)CC3)c2)c(F)c1
InChIInChI=1S/C18H20FN3O5S/c1-28(25,26)15-2-3-17(16(19)9-15)21-12-8-14(11-20-10-12)27-13-4-6-22(7-5-13)18(23)24/h2-3,8-11,13,21H,4-7H2,1H3,(H,23,24)
InChIKeyDTIOMMMYDLNOKK-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.89
Rot. Bonds5

About 4-[[5-(2-fluoro-4-methylsulfonylanilino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid

4-[[5-(2-fluoro-4-methylsulfonylanilino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid (PubChem CID 141132610) has the molecular formula C18H20FN3O5S and a molecular weight of 409.44 g/mol. Its IUPAC name is 4-[[5-(2-fluoro-4-methylsulfonylanilino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(2-fluoro-4-methylsulfonylanilino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid
PubChem CID141132610
Molecular FormulaC18H20FN3O5S
Molecular Weight409.44 g/mol
Exact Mass409.11
IUPAC Name4-[[5-(2-fluoro-4-methylsulfonylanilino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid
SMILESCS(=O)(=O)c1ccc(Nc2cncc(OC3CCN(C(=O)O)CC3)c2)c(F)c1
InChIInChI=1S/C18H20FN3O5S/c1-28(25,26)15-2-3-17(16(19)9-15)21-12-8-14(11-20-10-12)27-13-4-6-22(7-5-13)18(23)24/h2-3,8-11,13,21H,4-7H2,1H3,(H,23,24)
InChIKeyDTIOMMMYDLNOKK-UHFFFAOYSA-N
XLogP2.89
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(2-fluoro-4-methylsulfonylanilino)-4-pyridinyl]oxy]piperidine-1-carboxylic acid
CID 141132562
tert-butyl 4-[[4-(2-fluoro-4-methylsulfonylanilino)-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 68980427
tert-butyl 4-[5-[(2-fluoro-4-methylsulfonylanilino)methyl]pyrazin-2-yl]oxypiperidine-1-carboxylate
CID 46200842
tert-butyl 4-[[6-(2-fluoro-4-methylsulfonylanilino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 11698394
4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 71224944
cyclobutyl 4-[[[6-(2-fluoro-4-methylsulfonylanilino)pyrimidin-4-yl]methylamino]methyl]piperidine-1-carboxylate
CID 142780559
4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide
CID 71166636
4-[6-(2-fluoro-4-propoxyanilino)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 142779490
4-[6-[2-fluoro-4-(2-methoxyethoxy)anilino]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 66896012
4-(4-amino-2-fluoroanilino)piperidine-1-carboxylic acid
CID 69030718
[4-[[2-(2-fluoro-4-methylsulfonylanilino)-3-hydroxy-4-pyridinyl]oxy]piperidin-1-yl] propan-2-yl carbonate
CID 68564988
trans-(1R,2R)-2-[4-(4-methylsulfonylphenoxy)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 91273291

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-fluoro-4-methylsulfonylanilino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[5-(2-fluoro-4-methylsulfonylanilino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid (CID 141132610) is 4-[[5-(2-fluoro-4-methylsulfonylanilino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[5-(2-fluoro-4-methylsulfonylanilino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[5-(2-fluoro-4-methylsulfonylanilino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid is CS(=O)(=O)c1ccc(Nc2cncc(OC3CCN(C(=O)O)CC3)c2)c(F)c1.
What is the InChIKey of 4-[[5-(2-fluoro-4-methylsulfonylanilino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid?
The InChIKey is DTIOMMMYDLNOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O5S/c1-28(25,26)15-2-3-17(16(19)9-15)21-12-8-14(11-20-10-12)27-13-4-6-22(7-5-13)18(23)24/h2-3,8-11,13,21H,4-7H2,1H3,(H,23,24).
What are the key properties of 4-[[5-(2-fluoro-4-methylsulfonylanilino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid?
4-[[5-(2-fluoro-4-methylsulfonylanilino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid has a molecular weight of 409.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2-fluoro-4-methylsulfonylanilino)-3-pyridinyl]oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 141132610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).