4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

C17H26ClN3O4S — CID 120557244

IUPAC4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1.Cl
InChIInChI=1S/C17H25N3O4S.ClH/c1-12-10-18-9-8-15(12)19-17(22)13-4-6-14(7-5-13)25(23,24)11-16(21)20(2)3;/h4-7,12,15,18H,8-11H2,1-3H3,(H,19,22);1H
InChIKeyZVQWEYRPORALKQ-UHFFFAOYSA-N
MW403.93 g/mol
LogP0.70
Rot. Bonds5

About 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120557244) has the molecular formula C17H26ClN3O4S and a molecular weight of 403.93 g/mol. Its IUPAC name is 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120557244
Molecular FormulaC17H26ClN3O4S
Molecular Weight403.93 g/mol
Exact Mass403.13
IUPAC Name4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1.Cl
InChIInChI=1S/C17H25N3O4S.ClH/c1-12-10-18-9-8-15(12)19-17(22)13-4-6-14(7-5-13)25(23,24)11-16(21)20(2)3;/h4-7,12,15,18H,8-11H2,1-3H3,(H,19,22);1H
InChIKeyZVQWEYRPORALKQ-UHFFFAOYSA-N
XLogP0.70
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.93
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536975
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463409
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
CID 120556844
N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 120555623
4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide
CID 120557775
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
3-(diethylsulfamoyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556196
4-(cyclopropylmethoxy)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556355
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide
CID 120556672
4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120554586

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120557244) is 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is CC1CNCCC1NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1.Cl.
What is the InChIKey of 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is ZVQWEYRPORALKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4S.ClH/c1-12-10-18-9-8-15(12)19-17(22)13-4-6-14(7-5-13)25(23,24)11-16(21)20(2)3;/h4-7,12,15,18H,8-11H2,1-3H3,(H,19,22);1H.
What are the key properties of 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 403.93 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120557244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).