N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide

C14H20N2O3S — CID 166604954

IUPACN-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C14H20N2O3S/c1-15-14(17)11-4-3-9-16(10-11)12-5-7-13(8-6-12)20(2,18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeySYJZNESLIGFTQP-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.05
Rot. Bonds3

About N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide

N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide (PubChem CID 166604954) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
PubChem CID166604954
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(c2ccc(S(C)(=O)=O)cc2)C1
InChIInChI=1S/C14H20N2O3S/c1-15-14(17)11-4-3-9-16(10-11)12-5-7-13(8-6-12)20(2,18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKeySYJZNESLIGFTQP-UHFFFAOYSA-N
XLogP1.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-4-methylsulfonylphenyl)-N-methylpiperidine-3-carboxamide
CID 103194330
N-methyl-1-(4-methylsulfonylphenyl)piperidin-3-amine
CID 62546364
[1-(4-methylsulfonylphenyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 166604975
N-[1-(4-methylsulfonylphenyl)piperidin-3-yl]methanesulfonamide
CID 163354197
N-methyl-1-[1-(4-methylsulfonylphenyl)piperidin-3-yl]ethanamine
CID 63854393
1-(3-aminophenyl)-N-methylpiperidine-3-carboxamide
CID 103194412
(3R)-1-(4-chlorophenyl)-N-methylpyrrolidine-3-carboxamide
CID 134288449
1-(4-acetyl-3-chlorophenyl)-N-methylpiperidine-3-carboxamide
CID 103196319
1-[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-N-methylpiperidine-3-carboxamide
CID 103196779
1-(4-formyl-3-methylphenyl)-N-methylpiperidine-3-carboxamide
CID 103196506
1-(4-propan-2-ylsulfonylphenyl)piperidine-3-carboxylic acid
CID 45156917
1-[4-(ethylsulfamoyl)phenyl]piperidine-3-carboxylic acid
CID 43453928

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide (CID 166604954) is N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide is CNC(=O)C1CCCN(c2ccc(S(C)(=O)=O)cc2)C1.
What is the InChIKey of N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide?
The InChIKey is SYJZNESLIGFTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-15-14(17)11-4-3-9-16(10-11)12-5-7-13(8-6-12)20(2,18)19/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,17).
What are the key properties of N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide?
N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylsulfonylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 166604954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).