N-(2,4-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

C15H22N2O3S — CID 1090966

IUPACN-(2,4-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)c1
InChIInChI=1S/C15H22N2O3S/c1-11-4-5-14(12(2)10-11)16-15(18)13-6-8-17(9-7-13)21(3,19)20/h4-5,10,13H,6-9H2,1-3H3,(H,16,18)
InChIKeyHMQQNJZLTQZZSR-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.91
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(2,4-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 1090966) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID1090966
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(2,4-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)c1
InChIInChI=1S/C15H22N2O3S/c1-11-4-5-14(12(2)10-11)16-15(18)13-6-8-17(9-7-13)21(3,19)20/h4-5,10,13H,6-9H2,1-3H3,(H,16,18)
InChIKeyHMQQNJZLTQZZSR-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 892323
2-[cyclohexyl(methylsulfonyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 848402
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
N-(3-chloro-4-methylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 892262
N-(3-fluorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 893951
N-(4-chloro-2-methylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1081267
N-(2,3-dimethylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1081280
N-(3-chloro-2-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081283
N-(4-carbamoylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1081285
1-ethylsulfonyl-N-(2-methyl-5-nitrophenyl)piperidine-4-carboxamide
CID 2204286
1-(ethylsulfonyl)-N-(3-fluorophenyl)-4-piperidinecarboxamide
CID 2953659
2-[N-(dimethylsulfamoyl)anilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 2231602

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 1090966) is N-(2,4-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is HMQQNJZLTQZZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-4-5-14(12(2)10-11)16-15(18)13-6-8-17(9-7-13)21(3,19)20/h4-5,10,13H,6-9H2,1-3H3,(H,16,18).
What are the key properties of N-(2,4-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(2,4-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1090966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).