1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide

C21H27N3O4S — CID 41454969

IUPAC1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C21H27N3O4S/c1-23(2)29(26,27)24-14-12-18(13-15-24)21(25)22-19-8-10-20(11-9-19)28-16-17-6-4-3-5-7-17/h3-11,18H,12-16H2,1-2H3,(H,22,25)
InChIKeyJFEMANGXSOFMMJ-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.72
Rot. Bonds7

About 1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide

1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide (PubChem CID 41454969) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
PubChem CID41454969
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
SMILESCN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C21H27N3O4S/c1-23(2)29(26,27)24-14-12-18(13-15-24)21(25)22-19-8-10-20(11-9-19)28-16-17-6-4-3-5-7-17/h3-11,18H,12-16H2,1-2H3,(H,22,25)
InChIKeyJFEMANGXSOFMMJ-UHFFFAOYSA-N
XLogP2.72
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfonyl-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1082619
1-(dimethylsulfamoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 41454669
1-(2-methylpropanoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 113008208
N-[4-(4-phenylmethoxyanilino)phenyl]cyclopropanecarboxamide
CID 112988911
1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 121119048
1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 45014267
4-N-(4-phenylmethoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144415
1-(4-tert-butylbenzoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 1003986
N-(4-phenylmethoxyphenyl)-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 43916267
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
1-(dimethylsulfamoyl)-N-(2-phenylphenyl)piperidine-4-carboxamide
CID 41455218
ethyl 2-[[1-(dimethylsulfamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008687

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide (CID 41454969) is 1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide is CN(C)S(=O)(=O)N1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide?
The InChIKey is JFEMANGXSOFMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-23(2)29(26,27)24-14-12-18(13-15-24)21(25)22-19-8-10-20(11-9-19)28-16-17-6-4-3-5-7-17/h3-11,18H,12-16H2,1-2H3,(H,22,25).
What are the key properties of 1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide?
1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide has a molecular weight of 417.53 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 41454969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).