3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C19H30ClN3O3S — CID 119463606

IUPAC3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC2CCCNC2)c1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-15-6-2-3-11-22(15)26(24,25)18-9-4-8-17(12-18)19(23)21-14-16-7-5-10-20-13-16;/h4,8-9,12,15-16,20H,2-3,5-7,10-11,13-14H2,1H3,(H,21,23);1H
InChIKeyPCQSUMQARLDKPR-UHFFFAOYSA-N
MW415.99 g/mol
LogP2.40
Rot. Bonds5

About 3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119463606) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is 3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119463606
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC Name3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC2CCCNC2)c1.Cl
InChIInChI=1S/C19H29N3O3S.ClH/c1-15-6-2-3-11-22(15)26(24,25)18-9-4-8-17(12-18)19(23)21-14-16-7-5-10-20-13-16;/h4,8-9,12,15-16,20H,2-3,5-7,10-11,13-14H2,1H3,(H,21,23);1H
InChIKeyPCQSUMQARLDKPR-UHFFFAOYSA-N
XLogP2.40
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-3-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119463506
2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463183
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide
CID 119462393
N-(2-amino-2-methylpropyl)-3-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119629639
3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442263
3-(cyclopropylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119460525
3-[methyl(propan-2-yl)sulfamoyl]-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462288
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 86950492
N-[2-(4-chlorophenyl)ethyl]-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9217485
3-[(2S)-2-methylpiperidin-1-yl]sulfonyl-N-(2,4,6-trimethylphenyl)benzamide
CID 26085937
3-N-(piperidin-3-ylmethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119463124

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119463606) is 3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is CC1CCCCN1S(=O)(=O)c1cccc(C(=O)NCC2CCCNC2)c1.Cl.
What is the InChIKey of 3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is PCQSUMQARLDKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S.ClH/c1-15-6-2-3-11-22(15)26(24,25)18-9-4-8-17(12-18)19(23)21-14-16-7-5-10-20-13-16;/h4,8-9,12,15-16,20H,2-3,5-7,10-11,13-14H2,1H3,(H,21,23);1H.
What are the key properties of 3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 415.99 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119463606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).