1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide

C16H23N3O5S — CID 27260946

IUPAC1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H23N3O5S/c1-18(2)25(22,23)12-4-5-14(24-3)13(10-12)16(21)19-8-6-11(7-9-19)15(17)20/h4-5,10-11H,6-9H2,1-3H3,(H2,17,20)
InChIKeyXNZOTKQOTZGPOF-UHFFFAOYSA-N
MW369.44 g/mol
LogP0.28
Rot. Bonds5

About 1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide

1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide (PubChem CID 27260946) has the molecular formula C16H23N3O5S and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide
PubChem CID27260946
Molecular FormulaC16H23N3O5S
Molecular Weight369.44 g/mol
Exact Mass369.14
IUPAC Name1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C16H23N3O5S/c1-18(2)25(22,23)12-4-5-14(24-3)13(10-12)16(21)19-8-6-11(7-9-19)15(17)20/h4-5,10-11H,6-9H2,1-3H3,(H2,17,20)
InChIKeyXNZOTKQOTZGPOF-UHFFFAOYSA-N
XLogP0.28
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]piperidine-4-carboxamide
CID 28591148
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
1-[4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxamide
CID 30148326
1-(4,5-dimethoxy-2-methylbenzoyl)piperidine-4-carboxamide
CID 110763601
3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methoxybenzenesulfonamide
CID 120816046
4-methoxy-N-[(2-methoxyphenyl)methyl]-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 43909211
1-(4-amino-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119673960
1-(4-acetamido-5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 17312286
ethyl 1-[2-methoxy-5-[methyl(methylsulfonyl)amino]benzoyl]piperidine-4-carboxylate
CID 30148619
N,N-dimethyl-3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 55978794
methyl 1-[4-(dimethylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 51153899
4-(2-methoxy-5-nitrobenzoyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 33007439

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide (CID 27260946) is 1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide?
The InChIKey is XNZOTKQOTZGPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O5S/c1-18(2)25(22,23)12-4-5-14(24-3)13(10-12)16(21)19-8-6-11(7-9-19)15(17)20/h4-5,10-11H,6-9H2,1-3H3,(H2,17,20).
What are the key properties of 1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide?
1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide has a molecular weight of 369.44 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylsulfamoyl)-2-methoxybenzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 27260946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).