N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride

C16H26ClN3O4S — CID 120887481

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cccc(CS(N)(=O)=O)c2)CCNCC1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-23-12-16(5-7-18-8-6-16)11-19-15(20)14-4-2-3-13(9-14)10-24(17,21)22;/h2-4,9,18H,5-8,10-12H2,1H3,(H,19,20)(H2,17,21,22);1H
InChIKeyFYFZPGLXIPCHLC-UHFFFAOYSA-N
MW391.92 g/mol
LogP0.64
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride (PubChem CID 120887481) has the molecular formula C16H26ClN3O4S and a molecular weight of 391.92 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride
PubChem CID120887481
Molecular FormulaC16H26ClN3O4S
Molecular Weight391.92 g/mol
Exact Mass391.13
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cccc(CS(N)(=O)=O)c2)CCNCC1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-23-12-16(5-7-18-8-6-16)11-19-15(20)14-4-2-3-13(9-14)10-24(17,21)22;/h2-4,9,18H,5-8,10-12H2,1H3,(H,19,20)(H2,17,21,22);1H
InChIKeyFYFZPGLXIPCHLC-UHFFFAOYSA-N
XLogP0.64
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 120889014
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888580
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888252
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 120887333
3-(cyclopropanecarbonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120891219
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120889122
3-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890417
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120890173

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride (CID 120887481) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride is COCC1(CNC(=O)c2cccc(CS(N)(=O)=O)c2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride?
The InChIKey is FYFZPGLXIPCHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S.ClH/c1-23-12-16(5-7-18-8-6-16)11-19-15(20)14-4-2-3-13(9-14)10-24(17,21)22;/h2-4,9,18H,5-8,10-12H2,1H3,(H,19,20)(H2,17,21,22);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 0.64, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 120887481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).