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

C15H22N2O5S — CID 893996

IUPACN-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(OC)c1
InChIInChI=1S/C15H22N2O5S/c1-21-12-4-5-13(14(10-12)22-2)16-15(18)11-6-8-17(9-7-11)23(3,19)20/h4-5,10-11H,6-9H2,1-3H3,(H,16,18)
InChIKeyODSUBOYOKGDOOL-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.31
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 893996) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID893996
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(OC)c1
InChIInChI=1S/C15H22N2O5S/c1-21-12-4-5-13(14(10-12)22-2)16-15(18)11-6-8-17(9-7-11)23(3,19)20/h4-5,10-11H,6-9H2,1-3H3,(H,16,18)
InChIKeyODSUBOYOKGDOOL-UHFFFAOYSA-N
XLogP1.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N~1~,N~6~-bis(2,4-dimethoxyphenyl)hexanediamide
CID 4601418
N-(4-ethoxyphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 893606
N-(4-methoxyphenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2988836
N-(2-ethoxyphenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2991696
N-(2,4-dimethoxyphenyl)-2-methylbutanamide
CID 3140488
N~1~-(2,4-dimethoxyphenyl)-N~2~-(4-methylphenyl)-N~2~-(methylsulfonyl)glycinamide
CID 1361027
N-[2-(tert-butylsulfanyl)ethyl]-N~2~-(2,4-dimethoxyphenyl)-N~2~-(methylsulfonyl)glycinamide
CID 2289498
N-(2,4-dimethoxyphenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2920999
N-(4-ethoxyphenyl)-1-(ethylsulfonyl)-4-piperidinecarboxamide
CID 2953626
N~1~-(2,4-dimethoxyphenyl)-N~2~-(4-methylphenyl)-N~2~-(methylsulfonyl)alaninamide
CID 2967875
N-(2,4-dimethoxyphenyl)-1-(phenylsulfonyl)-3-piperidinecarboxamide
CID 2987117
N-(2,4-dimethoxyphenyl)-4-(methylsulfonyl)-1-piperazinecarboxamide
CID 6471076

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 893996) is N-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is ODSUBOYOKGDOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-21-12-4-5-13(14(10-12)22-2)16-15(18)11-6-8-17(9-7-11)23(3,19)20/h4-5,10-11H,6-9H2,1-3H3,(H,16,18).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 893996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).