5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide

C16H23BrN2O2S — CID 87047357

IUPAC5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H23BrN2O2S/c1-3-11(4-2)16(21)19-9-7-12(8-10-19)18-15(20)13-5-6-14(17)22-13/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,20)
InChIKeySOMUPZDDWKAHJV-UHFFFAOYSA-N
MW387.34 g/mol
LogP3.67
Rot. Bonds5

About 5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide

5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 87047357) has the molecular formula C16H23BrN2O2S and a molecular weight of 387.34 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID87047357
Molecular FormulaC16H23BrN2O2S
Molecular Weight387.34 g/mol
Exact Mass386.07
IUPAC Name5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C16H23BrN2O2S/c1-3-11(4-2)16(21)19-9-7-12(8-10-19)18-15(20)13-5-6-14(17)22-13/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,20)
InChIKeySOMUPZDDWKAHJV-UHFFFAOYSA-N
XLogP3.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
CID 17249869
5-bromo-N-(4-propylcyclohexyl)thiophene-2-carboxamide
CID 63524780
4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 119289463
5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
CID 55851168
6-[[1-(2-ethylbutanoyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180912
2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 108554619
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119520209
(5-bromothiophen-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119563118
1-[(4-bromophenyl)methyl]-3-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methylguanidine;hydroiodide
CID 111978031
N-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 124507283
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide
CID 22350665

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide (CID 87047357) is 5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide is CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is SOMUPZDDWKAHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2S/c1-3-11(4-2)16(21)19-9-7-12(8-10-19)18-15(20)13-5-6-14(17)22-13/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,18,20).
What are the key properties of 5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide?
5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 387.34 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2-ethylbutanoyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 87047357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).