1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide

C19H26N4O4S — CID 46332156

IUPAC1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1
InChIInChI=1S/C19H26N4O4S/c1-4-27-17-8-6-5-7-16(17)21-19(24)15-9-11-23(12-10-15)28(25,26)18-13-22(3)14(2)20-18/h5-8,13,15H,4,9-12H2,1-3H3,(H,21,24)
InChIKeyOQBQAEJRVNQGGK-UHFFFAOYSA-N
MW406.51 g/mol
LogP2.17
Rot. Bonds6

About 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide

1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide (PubChem CID 46332156) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide
PubChem CID46332156
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1
InChIInChI=1S/C19H26N4O4S/c1-4-27-17-8-6-5-7-16(17)21-19(24)15-9-11-23(12-10-15)28(25,26)18-13-22(3)14(2)20-18/h5-8,13,15H,4,9-12H2,1-3H3,(H,21,24)
InChIKeyOQBQAEJRVNQGGK-UHFFFAOYSA-N
XLogP2.17
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1077678
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 47087946
N-(2-ethoxyphenyl)-1-propylsulfonylpiperidine-4-carboxamide
CID 113007558
N-cyclooctyl-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 46332114
N-(2-ethoxyphenyl)-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53042969
N-(2-propoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26897762
N-[2-(4-ethoxyphenoxy)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 39909181
1-(2-amino-2-oxoethyl)-N-(2-ethoxyphenyl)piperidine-4-carboxamide
CID 16909193
N-(2-ethoxyphenyl)-1-(4-methylpyrrolo[1,2-d][1,2,4]triazin-1-yl)piperidine-4-carboxamide
CID 50840883
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-propoxyphenyl)piperidine-4-carboxamide
CID 55415209
(3R)-N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1075960
4-N-(2-ethoxyphenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151014

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide (CID 46332156) is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide is CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is OQBQAEJRVNQGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-4-27-17-8-6-5-7-16(17)21-19(24)15-9-11-23(12-10-15)28(25,26)18-13-22(3)14(2)20-18/h5-8,13,15H,4,9-12H2,1-3H3,(H,21,24).
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide?
1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-(2-ethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 46332156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).