1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

C17H27N3O4S — CID 132762136

IUPAC1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)C1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C17H27N3O4S/c1-18(2)25(22,23)20-11-7-9-15(13-20)17(21)19(3)12-14-8-5-6-10-16(14)24-4/h5-6,8,10,15H,7,9,11-13H2,1-4H3
InChIKeyOHDVOHFNHUHPKS-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.17
Rot. Bonds6

About 1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 132762136) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID132762136
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)C1CCCN(S(=O)(=O)N(C)C)C1
InChIInChI=1S/C17H27N3O4S/c1-18(2)25(22,23)20-11-7-9-15(13-20)17(21)19(3)12-14-8-5-6-10-16(14)24-4/h5-6,8,10,15H,7,9,11-13H2,1-4H3
InChIKeyOHDVOHFNHUHPKS-UHFFFAOYSA-N
XLogP1.17
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 93486945
(3R)-1-[(3,4-dichlorophenyl)methylsulfonyl]-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 30379450
(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
(3R)-1-(dimethylsulfamoyl)-N-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 28631723
(3S)-N-[(2-fluorophenyl)methyl]-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 125047791
(3S)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 81128624
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 27824459
1-(dimethylsulfamoyl)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 132663033
N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490719
(3R)-N-benzyl-1-(2-methoxy-5-methylphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 41302820
1-(4-fluorophenyl)sulfonyl-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 55897208
2-[(2-methoxyphenyl)methyl-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103977987

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 132762136) is 1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is COc1ccccc1CN(C)C(=O)C1CCCN(S(=O)(=O)N(C)C)C1.
What is the InChIKey of 1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is OHDVOHFNHUHPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-18(2)25(22,23)20-11-7-9-15(13-20)17(21)19(3)12-14-8-5-6-10-16(14)24-4/h5-6,8,10,15H,7,9,11-13H2,1-4H3.
What are the key properties of 1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 132762136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).