5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide

C13H19BrN2OS — CID 79965307

IUPAC5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCN2CCCCC2)sc1Br
InChIInChI=1S/C13H19BrN2OS/c1-10-9-11(18-12(10)14)13(17)15-5-8-16-6-3-2-4-7-16/h9H,2-8H2,1H3,(H,15,17)
InChIKeyVLGXAOVYJFLPKK-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.03
Rot. Bonds4

About 5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide

5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 79965307) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
PubChem CID79965307
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC Name5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCN2CCCCC2)sc1Br
InChIInChI=1S/C13H19BrN2OS/c1-10-9-11(18-12(10)14)13(17)15-5-8-16-6-3-2-4-7-16/h9H,2-8H2,1H3,(H,15,17)
InChIKeyVLGXAOVYJFLPKK-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 79964784
5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 115683330
5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 55029116
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 79965148
5-bromo-4-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiophene-2-carboxamide
CID 104955216
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
4-bromo-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 18367611
5-bromo-N-(3-cyclohexyloxypropyl)-4-methylthiophene-2-carboxamide
CID 79987057
5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
CID 79965145
5-chloro-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 25237516
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide (CID 79965307) is 5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide is Cc1cc(C(=O)NCCN2CCCCC2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is VLGXAOVYJFLPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-10-9-11(18-12(10)14)13(17)15-5-8-16-6-3-2-4-7-16/h9H,2-8H2,1H3,(H,15,17).
What are the key properties of 5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 331.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 79965307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).