4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide

C15H22N2O3S — CID 115584071

IUPAC4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C15H22N2O3S/c1-12-7-9-17(10-8-12)15(18)16-11-13-3-5-14(6-4-13)21(2,19)20/h3-6,12H,7-11H2,1-2H3,(H,16,18)
InChIKeyWOLRQYFNLNYOJS-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.03
Rot. Bonds3

About 4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide

4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 115584071) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide
PubChem CID115584071
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide
SMILESCC1CCN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C15H22N2O3S/c1-12-7-9-17(10-8-12)15(18)16-11-13-3-5-14(6-4-13)21(2,19)20/h3-6,12H,7-11H2,1-2H3,(H,16,18)
InChIKeyWOLRQYFNLNYOJS-UHFFFAOYSA-N
XLogP2.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 79160564
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
4-N-(2-adamantyl)-1-N-[(4-methylsulfonylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 24951840
3-[(1-methylpyrazol-4-yl)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyrrolidine-1-carboxamide
CID 136511913
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[(4-methylsulfonylphenyl)methyl]guanidine
CID 111387070
N-[(3-methoxy-4-methylphenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 60570389
2-methyl-1-[3-(4-methylpiperidin-1-yl)propyl]-3-[(4-methylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111387069
4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide
CID 136577422
4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 53498362
N-benzyl-4-methylpiperidine-1-carbothioamide
CID 19653857
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60551160
N-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-4-methylpiperidine-1-carboxamide
CID 60610851

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide (CID 115584071) is 4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide is CC1CCN(C(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1.
What is the InChIKey of 4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is WOLRQYFNLNYOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12-7-9-17(10-8-12)15(18)16-11-13-3-5-14(6-4-13)21(2,19)20/h3-6,12H,7-11H2,1-2H3,(H,16,18).
What are the key properties of 4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide?
4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 115584071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).