3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C21H31ClN4O2 — CID 119557781

IUPAC3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCC(C)(C)Cc1nc(-c2cccc(C(=O)NCCC3CCCNC3)c2)no1.Cl
InChIInChI=1S/C21H30N4O2.ClH/c1-21(2,3)13-18-24-19(25-27-18)16-7-4-8-17(12-16)20(26)23-11-9-15-6-5-10-22-14-15;/h4,7-8,12,15,22H,5-6,9-11,13-14H2,1-3H3,(H,23,26);1H
InChIKeyMHFNFOKBEDILKV-UHFFFAOYSA-N
MW406.96 g/mol
LogP3.87
Rot. Bonds6

About 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119557781) has the molecular formula C21H31ClN4O2 and a molecular weight of 406.96 g/mol. Its IUPAC name is 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119557781
Molecular FormulaC21H31ClN4O2
Molecular Weight406.96 g/mol
Exact Mass406.21
IUPAC Name3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCC(C)(C)Cc1nc(-c2cccc(C(=O)NCCC3CCCNC3)c2)no1.Cl
InChIInChI=1S/C21H30N4O2.ClH/c1-21(2,3)13-18-24-19(25-27-18)16-7-4-8-17(12-16)20(26)23-11-9-15-6-5-10-22-14-15;/h4,7-8,12,15,22H,5-6,9-11,13-14H2,1-3H3,(H,23,26);1H
InChIKeyMHFNFOKBEDILKV-UHFFFAOYSA-N
XLogP3.87
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.96
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride with MolForge

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Related Compounds

3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-pyrrolidin-3-ylbenzamide
CID 119452479
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
3-(4-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
CID 119535155
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
3-phenyl-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119558710
3-(3-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,2-oxazole-5-carboxamide
CID 119557122
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
N-(2-piperidin-3-ylethyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide;hydrochloride
CID 119559473
3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555759
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119557781) is 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is CC(C)(C)Cc1nc(-c2cccc(C(=O)NCCC3CCCNC3)c2)no1.Cl.
What is the InChIKey of 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is MHFNFOKBEDILKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2.ClH/c1-21(2,3)13-18-24-19(25-27-18)16-7-4-8-17(12-16)20(26)23-11-9-15-6-5-10-22-14-15;/h4,7-8,12,15,22H,5-6,9-11,13-14H2,1-3H3,(H,23,26);1H.
What are the key properties of 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 406.96 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119557781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).