3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

C17H27ClN2O5S — CID 119462202

IUPAC3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCC2CCCNC2)cc1OC.Cl
InChIInChI=1S/C17H26N2O5S.ClH/c1-23-15-6-5-14(10-16(15)24-2)25(21,22)9-7-17(20)19-12-13-4-3-8-18-11-13;/h5-6,10,13,18H,3-4,7-9,11-12H2,1-2H3,(H,19,20);1H
InChIKeyJONUTKUMMZXJHR-UHFFFAOYSA-N
MW406.93 g/mol
LogP1.41
Rot. Bonds8

About 3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (PubChem CID 119462202) has the molecular formula C17H27ClN2O5S and a molecular weight of 406.93 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
PubChem CID119462202
Molecular FormulaC17H27ClN2O5S
Molecular Weight406.93 g/mol
Exact Mass406.13
IUPAC Name3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)CCC(=O)NCC2CCCNC2)cc1OC.Cl
InChIInChI=1S/C17H26N2O5S.ClH/c1-23-15-6-5-14(10-16(15)24-2)25(21,22)9-7-17(20)19-12-13-4-3-8-18-11-13;/h5-6,10,13,18H,3-4,7-9,11-12H2,1-2H3,(H,19,20);1H
InChIKeyJONUTKUMMZXJHR-UHFFFAOYSA-N
XLogP1.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.93
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119461973
3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119464205
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119558527
3-[5-(3,4-dimethoxyphenyl)pyrimidin-2-yl]-N-(piperidin-3-ylmethyl)propanamide
CID 22257935
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119558343
3-(4-methylsulfonylphenoxy)-N-(piperidin-3-ylmethyl)propanamide
CID 119463901
3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 110633484
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119461144
N-(3-aminobutyl)-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119497210
N-[3-(aminomethyl)pentan-3-yl]-3-(3,4-dimethoxyphenyl)sulfonylpropanamide;hydrochloride
CID 119570335
3-[(3,4-dimethoxyphenyl)sulfonylamino]-N-piperidin-3-ylpropanamide
CID 119428153

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (CID 119462202) is 3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is COc1ccc(S(=O)(=O)CCC(=O)NCC2CCCNC2)cc1OC.Cl.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The InChIKey is JONUTKUMMZXJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S.ClH/c1-23-15-6-5-14(10-16(15)24-2)25(21,22)9-7-17(20)19-12-13-4-3-8-18-11-13;/h5-6,10,13,18H,3-4,7-9,11-12H2,1-2H3,(H,19,20);1H.
What are the key properties of 3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride has a molecular weight of 406.93 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)sulfonyl-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119462202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).