3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide

C14H20N2O3S — CID 3218769

IUPAC3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCc1cccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C14H20N2O3S/c1-11-4-3-5-12(10-11)14(17)15-13-6-8-16(9-7-13)20(2,18)19/h3-5,10,13H,6-9H2,1-2H3,(H,15,17)
InChIKeyICFHEPDHMRLIRT-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.15
Rot. Bonds3

About 3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide

3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide (PubChem CID 3218769) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
PubChem CID3218769
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCc1cccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C14H20N2O3S/c1-11-4-3-5-12(10-11)14(17)15-13-6-8-16(9-7-13)20(2,18)19/h3-5,10,13H,6-9H2,1-2H3,(H,15,17)
InChIKeyICFHEPDHMRLIRT-UHFFFAOYSA-N
XLogP1.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561824
N-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 3218814
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561834
3-(2,2-dimethylpropanoylamino)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 46419714
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
N-cyclooctyl-3-methylbenzamide
CID 966011
3-(3-hydroxy-3-methylbutyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 70749711
N-(1-methylsulfonylpiperidin-4-yl)pyridine-3-carboxamide
CID 3218770
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857
3-(2-methoxyethylsulfamoyl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999775
3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108555310

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide (CID 3218769) is 3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide is Cc1cccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of 3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is ICFHEPDHMRLIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-11-4-3-5-12(10-11)14(17)15-13-6-8-16(9-7-13)20(2,18)19/h3-5,10,13H,6-9H2,1-2H3,(H,15,17).
What are the key properties of 3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 296.39 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 3218769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).