2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C20H32ClN3O3S — CID 119463183

IUPAC2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-15-8-9-18(27(25,26)23-11-4-3-6-16(23)2)12-19(15)20(24)22-14-17-7-5-10-21-13-17;/h8-9,12,16-17,21H,3-7,10-11,13-14H2,1-2H3,(H,22,24);1H
InChIKeyOHLHJLORCZOGFX-UHFFFAOYSA-N
MW430.01 g/mol
LogP2.71
Rot. Bonds5

About 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119463183) has the molecular formula C20H32ClN3O3S and a molecular weight of 430.01 g/mol. Its IUPAC name is 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119463183
Molecular FormulaC20H32ClN3O3S
Molecular Weight430.01 g/mol
Exact Mass429.19
IUPAC Name2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)NCC1CCCNC1.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-15-8-9-18(27(25,26)23-11-4-3-6-16(23)2)12-19(15)20(24)22-14-17-7-5-10-21-13-17;/h8-9,12,16-17,21H,3-7,10-11,13-14H2,1-2H3,(H,22,24);1H
InChIKeyOHLHJLORCZOGFX-UHFFFAOYSA-N
XLogP2.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.01
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119463606
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119384496
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497
2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 35518524
N-[(2S)-butan-2-yl]-2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 34674274
(3R)-3-[[2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]amino]butanoic acid
CID 97314683
5-chloro-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 82883859
2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 47729092
N-(2-amino-1-cyclopropylethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119616294
methyl 2-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]propanoate
CID 55609673
N-[3-[[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55863012
methyl (2S)-3-methyl-2-[[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]butanoate
CID 55942554

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119463183) is 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is Cc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)NCC1CCCNC1.Cl.
What is the InChIKey of 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is OHLHJLORCZOGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S.ClH/c1-15-8-9-18(27(25,26)23-11-4-3-6-16(23)2)12-19(15)20(24)22-14-17-7-5-10-21-13-17;/h8-9,12,16-17,21H,3-7,10-11,13-14H2,1-2H3,(H,22,24);1H.
What are the key properties of 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 430.01 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119463183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).