N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide

C14H20N2O3S — CID 43703421

IUPACN-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCNCC1
InChIInChI=1S/C14H20N2O3S/c1-10-3-4-12(20(2,18)19)9-13(10)16-14(17)11-5-7-15-8-6-11/h3-4,9,11,15H,5-8H2,1-2H3,(H,16,17)
InChIKeyWCDVRMAVJGJPTO-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.34
Rot. Bonds3

About N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide

N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 43703421) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID43703421
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCNCC1
InChIInChI=1S/C14H20N2O3S/c1-10-3-4-12(20(2,18)19)9-13(10)16-14(17)11-5-7-15-8-6-11/h3-4,9,11,15H,5-8H2,1-2H3,(H,16,17)
InChIKeyWCDVRMAVJGJPTO-UHFFFAOYSA-N
XLogP1.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 18073176
(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 51550537
N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide
CID 76873147
N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 43703422
N-(2-chloro-5-methylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 55150235
N-(5-carbamoyl-2-methylphenyl)piperidine-4-carboxamide
CID 110471858
2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
CID 64824704
N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]piperidine-4-carboxamide
CID 119321946
N-[5-(diethylsulfamoyl)-2,3-dimethylphenyl]piperidine-4-carboxamide
CID 119272853
N-(2-methyl-5-methylsulfonylphenyl)-2-piperidin-3-ylacetamide
CID 62674347
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]piperidine-4-carboxamide
CID 119321965
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide (CID 43703421) is N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCNCC1.
What is the InChIKey of N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is WCDVRMAVJGJPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-3-4-12(20(2,18)19)9-13(10)16-14(17)11-5-7-15-8-6-11/h3-4,9,11,15H,5-8H2,1-2H3,(H,16,17).
What are the key properties of N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide?
N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 43703421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).