1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide

C18H25N5O3S — CID 46772253

IUPAC1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCC(C(=O)NCc2ccccc2-n2ccnc2)C1
InChIInChI=1S/C18H25N5O3S/c1-21(2)27(25,26)23-10-5-7-16(13-23)18(24)20-12-15-6-3-4-8-17(15)22-11-9-19-14-22/h3-4,6,8-9,11,14,16H,5,7,10,12-13H2,1-2H3,(H,20,24)
InChIKeyYWYRGXPHRYHRHB-UHFFFAOYSA-N
MW391.50 g/mol
LogP1.01
Rot. Bonds6

About 1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide

1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 46772253) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID46772253
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCN(C)S(=O)(=O)N1CCCC(C(=O)NCc2ccccc2-n2ccnc2)C1
InChIInChI=1S/C18H25N5O3S/c1-21(2)27(25,26)23-10-5-7-16(13-23)18(24)20-12-15-6-3-4-8-17(15)22-11-9-19-14-22/h3-4,6,8-9,11,14,16H,5,7,10,12-13H2,1-2H3,(H,20,24)
InChIKeyYWYRGXPHRYHRHB-UHFFFAOYSA-N
XLogP1.01
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[(2-imidazol-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94019817
(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 93486945
(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 39730085
N-[(2-imidazol-1-ylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 92672066
1-[cyclohexyl(methyl)sulfamoyl]-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 22552894
N-[(2-imidazol-1-ylphenyl)methyl]-1-methyl-2-oxopiperidine-4-carboxamide
CID 136578895
(3S)-1-(benzenesulfonyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 100659789
1-(2-ethoxyacetyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 91841223
5-(azepan-1-ylsulfonyl)-N-[(2-imidazol-1-ylphenyl)methyl]-2-methylbenzamide
CID 46763297
N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144335
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
N-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide
CID 131948153

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide (CID 46772253) is 1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide is CN(C)S(=O)(=O)N1CCCC(C(=O)NCc2ccccc2-n2ccnc2)C1.
What is the InChIKey of 1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is YWYRGXPHRYHRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-21(2)27(25,26)23-10-5-7-16(13-23)18(24)20-12-15-6-3-4-8-17(15)22-11-9-19-14-22/h3-4,6,8-9,11,14,16H,5,7,10,12-13H2,1-2H3,(H,20,24).
What are the key properties of 1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide?
1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 391.50 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N-[(2-imidazol-1-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 46772253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).