3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride

C20H32ClN3O3S — CID 119428202

IUPAC3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCCNC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-14-6-9-23(10-7-14)27(25,26)19-12-17(11-15(2)16(19)3)20(24)22-18-5-4-8-21-13-18;/h11-12,14,18,21H,4-10,13H2,1-3H3,(H,22,24);1H
InChIKeyCWYJGWFKCXPYSG-UHFFFAOYSA-N
MW430.01 g/mol
LogP2.63
Rot. Bonds4

About 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride

3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119428202) has the molecular formula C20H32ClN3O3S and a molecular weight of 430.01 g/mol. Its IUPAC name is 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119428202
Molecular FormulaC20H32ClN3O3S
Molecular Weight430.01 g/mol
Exact Mass429.19
IUPAC Name3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCCNC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C.Cl
InChIInChI=1S/C20H31N3O3S.ClH/c1-14-6-9-23(10-7-14)27(25,26)19-12-17(11-15(2)16(19)3)20(24)22-18-5-4-8-21-13-18;/h11-12,14,18,21H,4-10,13H2,1-3H3,(H,22,24);1H
InChIKeyCWYJGWFKCXPYSG-UHFFFAOYSA-N
XLogP2.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.01
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 78816617
3,4-dimethyl-N-[3-(methylamino)propyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119433268
3-(azepan-1-ylsulfonyl)-4-methoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426236
5-methyl-N-piperidin-3-yl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 119425165
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
N-butan-2-yl-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46521885
3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 28538953
[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylpiperidin-1-yl)methanone
CID 17466177
azocan-1-yl-[3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 55382126
N,N,3,4-tetramethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 51218909
3-chloro-4-methyl-N-[(3S)-piperidin-3-yl]benzamide
CID 113341605
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride (CID 119428202) is 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride is Cc1cc(C(=O)NC2CCCNC2)cc(S(=O)(=O)N2CCC(C)CC2)c1C.Cl.
What is the InChIKey of 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is CWYJGWFKCXPYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S.ClH/c1-14-6-9-23(10-7-14)27(25,26)19-12-17(11-15(2)16(19)3)20(24)22-18-5-4-8-21-13-18;/h11-12,14,18,21H,4-10,13H2,1-3H3,(H,22,24);1H.
What are the key properties of 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride?
3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 430.01 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119428202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).