methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

C14H19NO5S — CID 737721

IUPACmethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C14H19NO5S/c1-19-12-3-5-13(6-4-12)21(17,18)15-9-7-11(8-10-15)14(16)20-2/h3-6,11H,7-10H2,1-2H3
InChIKeyFUSSYBQNIXEVQA-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.27
Rot. Bonds4

About methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate

methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 737721) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID737721
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Namemethyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C14H19NO5S/c1-19-12-3-5-13(6-4-12)21(17,18)15-9-7-11(8-10-15)14(16)20-2/h3-6,11H,7-10H2,1-2H3
InChIKeyFUSSYBQNIXEVQA-UHFFFAOYSA-N
XLogP1.27
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
2-methylpropyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557075
methyl 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40899596
methyl 1-[4-(difluoromethylsulfonyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 34032036
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049470
methyl 1-[2-[(3S,4S)-3-ethyl-1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetyl]piperidine-4-carboxylate
CID 162813466
N-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 100799208
N-(2,2-dimethylpropyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100799217
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049424
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate (CID 737721) is methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is FUSSYBQNIXEVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-19-12-3-5-13(6-4-12)21(17,18)15-9-7-11(8-10-15)14(16)20-2/h3-6,11H,7-10H2,1-2H3.
What are the key properties of methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 737721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).