3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C15H24ClN3O3S — CID 119461880

IUPAC3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)NCC2CCCNC2)cc1NS(C)(=O)=O.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-11-5-6-13(8-14(11)18-22(2,20)21)15(19)17-10-12-4-3-7-16-9-12;/h5-6,8,12,16,18H,3-4,7,9-10H2,1-2H3,(H,17,19);1H
InChIKeyCDTRMSVADULVDI-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.52
Rot. Bonds5

About 3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119461880) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119461880
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)NCC2CCCNC2)cc1NS(C)(=O)=O.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-11-5-6-13(8-14(11)18-22(2,20)21)15(19)17-10-12-4-3-7-16-9-12;/h5-6,8,12,16,18H,3-4,7,9-10H2,1-2H3,(H,17,19);1H
InChIKeyCDTRMSVADULVDI-UHFFFAOYSA-N
XLogP1.52
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-4-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464322
3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461422
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
4-[(4-methylphenyl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide
CID 119462922
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119463375
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556011
4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119461144
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119461880) is 3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is Cc1ccc(C(=O)NCC2CCCNC2)cc1NS(C)(=O)=O.Cl.
What is the InChIKey of 3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is CDTRMSVADULVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-11-5-6-13(8-14(11)18-22(2,20)21)15(19)17-10-12-4-3-7-16-9-12;/h5-6,8,12,16,18H,3-4,7,9-10H2,1-2H3,(H,17,19);1H.
What are the key properties of 3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-4-methyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119461880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).