4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide

C16H25N3O4S — CID 120618122

IUPAC4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)C2(COC)CCNCC2)ccc1C
InChIInChI=1S/C16H25N3O4S/c1-12-4-5-13(10-14(12)24(21,22)17-2)19-15(20)16(11-23-3)6-8-18-9-7-16/h4-5,10,17-18H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyIZCBSVWFSKMVRV-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.86
Rot. Bonds6

About 4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 120618122) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID120618122
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)C2(COC)CCNCC2)ccc1C
InChIInChI=1S/C16H25N3O4S/c1-12-4-5-13(10-14(12)24(21,22)17-2)19-15(20)16(11-23-3)6-8-18-9-7-16/h4-5,10,17-18H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyIZCBSVWFSKMVRV-UHFFFAOYSA-N
XLogP0.86
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-fluoro-3-(methanesulfonamido)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619844
4-(methoxymethyl)-N-[3-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619753
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616974
N-[4-chloro-3-(methylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120624242
2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 78912544
4-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide
CID 120626064
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120635208
dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 120616457
N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618116
N-(4-acetamido-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621053
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120620858

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 120618122) is 4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide is CNS(=O)(=O)c1cc(NC(=O)C2(COC)CCNCC2)ccc1C.
What is the InChIKey of 4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is IZCBSVWFSKMVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-12-4-5-13(10-14(12)24(21,22)17-2)19-15(20)16(11-23-3)6-8-18-9-7-16/h4-5,10,17-18H,6-9,11H2,1-3H3,(H,19,20).
What are the key properties of 4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120618122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).