4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid

C16H24N2O5S — CID 22240558

IUPAC4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCN(OC)S(=O)(=O)N1CCC(Cc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C16H24N2O5S/c1-3-18(23-2)24(21,22)17-11-9-16(10-12-17,15(19)20)13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3,(H,19,20)
InChIKeyTZBIAGINGCUIAQ-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.52
Rot. Bonds7

About 4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid

4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 22240558) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID22240558
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid
SMILESCCN(OC)S(=O)(=O)N1CCC(Cc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C16H24N2O5S/c1-3-18(23-2)24(21,22)17-11-9-16(10-12-17,15(19)20)13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3,(H,19,20)
InChIKeyTZBIAGINGCUIAQ-UHFFFAOYSA-N
XLogP1.52
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 22240811
1-benzylcyclopropane-1-carboxylic acid
CID 562561
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
4-benzyl-1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid
CID 22240872
4-benzylpiperidine-4-carboxylic acid
CID 18365178
4-benzyl-1-[3-(4-methoxyphenyl)propanoyl]piperidine-4-carboxylic acid
CID 22241020
(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid
CID 34180361
1-[(2-aminoacetyl)-benzylsulfamoyl]-4-benzyl-N-[2-(4-ethylphenyl)ethyl]piperidine-4-carboxamide
CID 59813901
ethyl 1-(4-acetamidophenyl)sulfonyl-4-benzylpiperidine-4-carboxylate
CID 26401018
1-(2-chlorophenyl)sulfonyl-4-ethylpiperidine-4-carboxylic acid
CID 63125671
1-benzyl-4-oxocyclohexane-1-carboxylic acid;ethene
CID 21433580
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid (CID 22240558) is 4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid is CCN(OC)S(=O)(=O)N1CCC(Cc2ccccc2)(C(=O)O)CC1.
What is the InChIKey of 4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is TZBIAGINGCUIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-3-18(23-2)24(21,22)17-11-9-16(10-12-17,15(19)20)13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3,(H,19,20).
What are the key properties of 4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid?
4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid has a molecular weight of 356.44 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[ethyl(methoxy)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 22240558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).