2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

C17H23ClN4O2S — CID 120557909

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCc1noc(CSc2ccccc2C(=O)NC2CCNCC2C)n1.Cl
InChIInChI=1S/C17H22N4O2S.ClH/c1-11-9-18-8-7-14(11)20-17(22)13-5-3-4-6-15(13)24-10-16-19-12(2)21-23-16;/h3-6,11,14,18H,7-10H2,1-2H3,(H,20,22);1H
InChIKeyCRZDWBXRPHIRGF-UHFFFAOYSA-N
MW382.92 g/mol
LogP2.82
Rot. Bonds5

About 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120557909) has the molecular formula C17H23ClN4O2S and a molecular weight of 382.92 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120557909
Molecular FormulaC17H23ClN4O2S
Molecular Weight382.92 g/mol
Exact Mass382.12
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCc1noc(CSc2ccccc2C(=O)NC2CCNCC2C)n1.Cl
InChIInChI=1S/C17H22N4O2S.ClH/c1-11-9-18-8-7-14(11)20-17(22)13-5-3-4-6-15(13)24-10-16-19-12(2)21-23-16;/h3-6,11,14,18H,7-10H2,1-2H3,(H,20,22);1H
InChIKeyCRZDWBXRPHIRGF-UHFFFAOYSA-N
XLogP2.82
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 119602591
N-(3-methylpiperidin-4-yl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 120557119
ethyl 4-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]piperidine-1-carboxylate
CID 33078699
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(2-piperazin-1-ylethyl)benzamide
CID 119446737
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 36892865
N-[3-(methylamino)propyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide;hydrochloride
CID 119431497
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 18155172
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 30698035
N-(1-adamantylmethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 38076110
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120553780
N-(2-bromophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzamide
CID 30390679

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120557909) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is Cc1noc(CSc2ccccc2C(=O)NC2CCNCC2C)n1.Cl.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is CRZDWBXRPHIRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S.ClH/c1-11-9-18-8-7-14(11)20-17(22)13-5-3-4-6-15(13)24-10-16-19-12(2)21-23-16;/h3-6,11,14,18H,7-10H2,1-2H3,(H,20,22);1H.
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 382.92 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120557909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).