3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride

C12H18BrClN2OS — CID 86777491

IUPAC3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1sccc1Br
InChIInChI=1S/C12H17BrN2OS.ClH/c13-10-4-7-17-11(10)12(16)15-6-3-9-2-1-5-14-8-9;/h4,7,9,14H,1-3,5-6,8H2,(H,15,16);1H
InChIKeyHOHSFZLCCSTVAL-UHFFFAOYSA-N
MW353.71 g/mol
LogP3.05
Rot. Bonds4

About 3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride

3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride (PubChem CID 86777491) has the molecular formula C12H18BrClN2OS and a molecular weight of 353.71 g/mol. Its IUPAC name is 3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
PubChem CID86777491
Molecular FormulaC12H18BrClN2OS
Molecular Weight353.71 g/mol
Exact Mass352.00
IUPAC Name3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1sccc1Br
InChIInChI=1S/C12H17BrN2OS.ClH/c13-10-4-7-17-11(10)12(16)15-6-3-9-2-1-5-14-8-9;/h4,7,9,14H,1-3,5-6,8H2,(H,15,16);1H
InChIKeyHOHSFZLCCSTVAL-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.71
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
3-methylsulfanyl-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 119555349
4-methyl-N-(2-piperidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119555064
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
3-bromo-4-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990344
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
5-bromo-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 65311677
3-(dimethylsulfamoyl)-N-(2-pyrrolidin-3-ylethyl)thiophene-2-carboxamide
CID 119535146
3-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119620416

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride (CID 86777491) is 3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride?
The InChIKey is HOHSFZLCCSTVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS.ClH/c13-10-4-7-17-11(10)12(16)15-6-3-9-2-1-5-14-8-9;/h4,7,9,14H,1-3,5-6,8H2,(H,15,16);1H.
What are the key properties of 3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride?
3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride has a molecular weight of 353.71 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 86777491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).