4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid

C18H22N4O5S — CID 68965618

IUPAC4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid
SMILESCNS(=O)(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)O)CC3)cn2)cc1
InChIInChI=1S/C18H22N4O5S/c1-19-28(25,26)15-4-2-14(3-5-15)16-10-21-17(11-20-16)27-12-13-6-8-22(9-7-13)18(23)24/h2-5,10-11,13,19H,6-9,12H2,1H3,(H,23,24)
InChIKeyMIOAPDWEFHGTOE-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.82
Rot. Bonds6

About 4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid

4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid (PubChem CID 68965618) has the molecular formula C18H22N4O5S and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid
PubChem CID68965618
Molecular FormulaC18H22N4O5S
Molecular Weight406.46 g/mol
Exact Mass406.13
IUPAC Name4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid
SMILESCNS(=O)(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)O)CC3)cn2)cc1
InChIInChI=1S/C18H22N4O5S/c1-19-28(25,26)15-4-2-14(3-5-15)16-10-21-17(11-20-16)27-12-13-6-8-22(9-7-13)18(23)24/h2-5,10-11,13,19H,6-9,12H2,1H3,(H,23,24)
InChIKeyMIOAPDWEFHGTOE-UHFFFAOYSA-N
XLogP1.82
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 24993713
4-[[5-[4-[2-(hydroxymethyl)pyrrole-1-carbonyl]phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 87658985
CID 143854347
CID 143854347
4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10252300
propan-2-yl 4-[[6-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 24992753
4-[[[5-(4-methylsulfonylphenyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylic acid
CID 68862512
4-[[5-(4-morpholin-4-ylsulfonylphenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69051251
4-[4-[5-(cyclobutylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[5-(2-cyclopentylethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[5-(2-cyclopropylethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide;4-[4-[5-(cyclopropylmethoxy)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 158230800
4-[[5-(4-acetamidophenyl)pyrimidin-2-yl]oxymethyl]piperidine-1-carboxylic acid
CID 69050390
propan-2-yl 4-[(1R)-1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 59177827
4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid
CID 91186698
[4-[[5-(4-methylsulfonylphenyl)-2-pyridinyl]oxymethyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 25100625

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid (CID 68965618) is 4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid is CNS(=O)(=O)c1ccc(-c2cnc(OCC3CCN(C(=O)O)CC3)cn2)cc1.
What is the InChIKey of 4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid?
The InChIKey is MIOAPDWEFHGTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5S/c1-19-28(25,26)15-4-2-14(3-5-15)16-10-21-17(11-20-16)27-12-13-6-8-22(9-7-13)18(23)24/h2-5,10-11,13,19H,6-9,12H2,1H3,(H,23,24).
What are the key properties of 4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid?
4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid has a molecular weight of 406.46 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(methylsulfamoyl)phenyl]pyrazin-2-yl]oxymethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 68965618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).