pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

C19H22N2O5S — CID 42578108

IUPACpyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3ccccn3)CC2)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-17-5-7-18(8-6-17)27(23,24)21-12-9-15(10-13-21)19(22)26-14-16-4-2-3-11-20-16/h2-8,11,15H,9-10,12-14H2,1H3
InChIKeyXZTVIUGSNALKKG-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.23
Rot. Bonds6

About pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 42578108) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID42578108
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Namepyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3ccccn3)CC2)cc1
InChIInChI=1S/C19H22N2O5S/c1-25-17-5-7-18(8-6-17)27(23,24)21-12-9-15(10-13-21)19(22)26-14-16-4-2-3-11-20-16/h2-8,11,15H,9-10,12-14H2,1H3
InChIKeyXZTVIUGSNALKKG-UHFFFAOYSA-N
XLogP2.23
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2-methoxyphenyl)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 31154587
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
(5-methyl-1,2-oxazol-3-yl)methyl 1-naphthalen-2-ylsulfonylpiperidine-4-carboxylate
CID 27543624
2-methylpropyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557075
[5-(dimethylsulfamoyl)furan-2-yl]methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 55730923
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049470
2-(4-methoxyphenyl)ethyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 42979943
2-(3-ethylphenoxy)ethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 55309409
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
oxolan-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557079
1-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16831864
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874

Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate (CID 42578108) is pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate is COc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3ccccn3)CC2)cc1.
What is the InChIKey of pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is XZTVIUGSNALKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-17-5-7-18(8-6-17)27(23,24)21-12-9-15(10-13-21)19(22)26-14-16-4-2-3-11-20-16/h2-8,11,15H,9-10,12-14H2,1H3.
What are the key properties of pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 390.46 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 42578108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).