N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride

C19H30ClN3O3S — CID 120555623

IUPACN-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCNCC3C)cc2)CC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-14-8-11-22(12-9-14)26(24,25)17-5-3-16(4-6-17)19(23)21-18-7-10-20-13-15(18)2;/h3-6,14-15,18,20H,7-13H2,1-2H3,(H,21,23);1H
InChIKeyDTBWMDUBXQHTML-UHFFFAOYSA-N
MW415.99 g/mol
LogP2.26
Rot. Bonds4

About N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride

N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride (PubChem CID 120555623) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
PubChem CID120555623
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC NameN-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCNCC3C)cc2)CC1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-14-8-11-22(12-9-14)26(24,25)17-5-3-16(4-6-17)19(23)21-18-7-10-20-13-15(18)2;/h3-6,14-15,18,20H,7-13H2,1-2H3,(H,21,23);1H
InChIKeyDTBWMDUBXQHTML-UHFFFAOYSA-N
XLogP2.26
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
CID 120556844
4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557244
N-[(1S,2R)-2-methylcyclohexyl]-4-piperidin-1-ylsulfonylbenzamide
CID 9463751
1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride
CID 120554823
1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride
CID 120556458
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide
CID 119428774
1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 120556459
2-methoxy-N-(3-methylpiperidin-4-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 120556774
N-(1-adamantyl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 2927302
4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride (CID 120555623) is N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride is CC1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCNCC3C)cc2)CC1.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is DTBWMDUBXQHTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c1-14-8-11-22(12-9-14)26(24,25)17-5-3-16(4-6-17)19(23)21-18-7-10-20-13-15(18)2;/h3-6,14-15,18,20H,7-13H2,1-2H3,(H,21,23);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 120555623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).