5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide

C12H17BrN2OS — CID 113265499

IUPAC5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(Br)c1)C1CCCNC1
InChIInChI=1S/C12H17BrN2OS/c1-8(9-3-2-4-14-6-9)15-12(16)10-5-11(13)17-7-10/h5,7-9,14H,2-4,6H2,1H3,(H,15,16)
InChIKeyBYLMAFVPLKPNTA-UHFFFAOYSA-N
MW317.25 g/mol
LogP2.63
Rot. Bonds3

About 5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide

5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide (PubChem CID 113265499) has the molecular formula C12H17BrN2OS and a molecular weight of 317.25 g/mol. Its IUPAC name is 5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide
PubChem CID113265499
Molecular FormulaC12H17BrN2OS
Molecular Weight317.25 g/mol
Exact Mass316.02
IUPAC Name5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide
SMILESCC(NC(=O)c1csc(Br)c1)C1CCCNC1
InChIInChI=1S/C12H17BrN2OS/c1-8(9-3-2-4-14-6-9)15-12(16)10-5-11(13)17-7-10/h5,7-9,14H,2-4,6H2,1H3,(H,15,16)
InChIKeyBYLMAFVPLKPNTA-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-cyclobutylethyl)thiophene-3-carboxamide
CID 115769121
3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523133
1-methyl-2-oxo-N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 103793645
3-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 43523136
N-(1-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 62032705
7-bromo-N-(1-piperidin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 62046555
3-chloro-5-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 81322966
N-(1-piperidin-3-ylethyl)pyridazine-4-carboxamide
CID 104671340
4-methyl-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119473981
N-(1-piperidin-3-ylethyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119473934
2-bromo-6-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 115736933
5-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzamide
CID 62046369

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide (CID 113265499) is 5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide is CC(NC(=O)c1csc(Br)c1)C1CCCNC1.
What is the InChIKey of 5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide?
The InChIKey is BYLMAFVPLKPNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2OS/c1-8(9-3-2-4-14-6-9)15-12(16)10-5-11(13)17-7-10/h5,7-9,14H,2-4,6H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide?
5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide has a molecular weight of 317.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide is sourced from PubChem (CID 113265499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).