3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride

C15H20BrClN4O2S — CID 120554519

IUPAC3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCc1nc(-c2cc(Br)cs2)no1.Cl
InChIInChI=1S/C15H19BrN4O2S.ClH/c1-9-7-17-5-4-11(9)18-13(21)2-3-14-19-15(20-22-14)12-6-10(16)8-23-12;/h6,8-9,11,17H,2-5,7H2,1H3,(H,18,21);1H
InChIKeyCJIFEQRWNJVSQF-UHFFFAOYSA-N
MW435.78 g/mol
LogP3.03
Rot. Bonds5

About 3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride

3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride (PubChem CID 120554519) has the molecular formula C15H20BrClN4O2S and a molecular weight of 435.78 g/mol. Its IUPAC name is 3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
PubChem CID120554519
Molecular FormulaC15H20BrClN4O2S
Molecular Weight435.78 g/mol
Exact Mass434.02
IUPAC Name3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCc1nc(-c2cc(Br)cs2)no1.Cl
InChIInChI=1S/C15H19BrN4O2S.ClH/c1-9-7-17-5-4-11(9)18-13(21)2-3-14-19-15(20-22-14)12-6-10(16)8-23-12;/h6,8-9,11,17H,2-5,7H2,1H3,(H,18,21);1H
InChIKeyCJIFEQRWNJVSQF-UHFFFAOYSA-N
XLogP3.03
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.78
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-[3-(methylamino)propyl]propanamide;hydrochloride
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3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide
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CID 120571495
N-(3-amino-2-methylpropyl)-3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]propanamide;hydrochloride
CID 119996211
3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
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N-(3-methylpiperidin-4-yl)-3-naphthalen-2-ylpropanamide;hydrochloride
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3-[3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl-methylamino]propanoic acid
CID 119232403
N-piperidin-3-yl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
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3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
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3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The IUPAC name of 3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride (CID 120554519) is 3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The canonical SMILES for 3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride is CC1CNCCC1NC(=O)CCc1nc(-c2cc(Br)cs2)no1.Cl.
What is the InChIKey of 3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The InChIKey is CJIFEQRWNJVSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O2S.ClH/c1-9-7-17-5-4-11(9)18-13(21)2-3-14-19-15(20-22-14)12-6-10(16)8-23-12;/h6,8-9,11,17H,2-5,7H2,1H3,(H,18,21);1H.
What are the key properties of 3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride has a molecular weight of 435.78 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 120554519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).