5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide

C13H19BrN2OS — CID 61073693

IUPAC5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide
SMILESCC(CNC(=O)c1ccc(Br)s1)N1CCCCC1
InChIInChI=1S/C13H19BrN2OS/c1-10(16-7-3-2-4-8-16)9-15-13(17)11-5-6-12(14)18-11/h5-6,10H,2-4,7-9H2,1H3,(H,15,17)
InChIKeyMCLRERBTDWSAIZ-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.11
Rot. Bonds4

About 5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide

5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 61073693) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is 5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide
PubChem CID61073693
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC Name5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide
SMILESCC(CNC(=O)c1ccc(Br)s1)N1CCCCC1
InChIInChI=1S/C13H19BrN2OS/c1-10(16-7-3-2-4-8-16)9-15-13(17)11-5-6-12(14)18-11/h5-6,10H,2-4,7-9H2,1H3,(H,15,17)
InChIKeyMCLRERBTDWSAIZ-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
4-methyl-5-phenyl-N-[(2R)-2-piperidin-1-ylpropyl]thiophene-2-carboxamide
CID 125434439
5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 55029116
5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 47250893
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide
CID 62666717
5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82010230
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 51710424
4-bromo-3-chloro-N-(2-piperidin-1-ylpropyl)benzamide
CID 80973531
2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 103754766
3-amino-4-bromo-N-(2-piperidin-1-ylpropyl)benzamide
CID 61140955
2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 114344224

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide (CID 61073693) is 5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide is CC(CNC(=O)c1ccc(Br)s1)N1CCCCC1.
What is the InChIKey of 5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is MCLRERBTDWSAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-10(16-7-3-2-4-8-16)9-15-13(17)11-5-6-12(14)18-11/h5-6,10H,2-4,7-9H2,1H3,(H,15,17).
What are the key properties of 5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide?
5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 331.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 61073693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).