5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide

C14H21BrN2OS — CID 54907003

IUPAC5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide
SMILESCC(CNC(=O)c1csc(Br)c1)CN1CCCCC1
InChIInChI=1S/C14H21BrN2OS/c1-11(9-17-5-3-2-4-6-17)8-16-14(18)12-7-13(15)19-10-12/h7,10-11H,2-6,8-9H2,1H3,(H,16,18)
InChIKeyIJYOIUANEGRBEU-UHFFFAOYSA-N
MW345.31 g/mol
LogP3.36
Rot. Bonds5

About 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide

5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide (PubChem CID 54907003) has the molecular formula C14H21BrN2OS and a molecular weight of 345.31 g/mol. Its IUPAC name is 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide
PubChem CID54907003
Molecular FormulaC14H21BrN2OS
Molecular Weight345.31 g/mol
Exact Mass344.06
IUPAC Name5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide
SMILESCC(CNC(=O)c1csc(Br)c1)CN1CCCCC1
InChIInChI=1S/C14H21BrN2OS/c1-11(9-17-5-3-2-4-6-17)8-16-14(18)12-7-13(15)19-10-12/h7,10-11H,2-6,8-9H2,1H3,(H,16,18)
InChIKeyIJYOIUANEGRBEU-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
CID 61061664
3,5-dihydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 103892120
4-bromo-3-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 81295079
3-bromo-4-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)benzamide
CID 107999448
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992034
5-bromo-N-(3-pyrrolidin-1-ylpropyl)thiophene-3-carboxamide
CID 60735543
3-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 55150022
2-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)furan-3-carboxamide
CID 106853640
5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
CID 78965929
2-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 61292554
N-(2-methyl-3-piperidin-1-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292410

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide (CID 54907003) is 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide is CC(CNC(=O)c1csc(Br)c1)CN1CCCCC1.
What is the InChIKey of 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide?
The InChIKey is IJYOIUANEGRBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2OS/c1-11(9-17-5-3-2-4-6-17)8-16-14(18)12-7-13(15)19-10-12/h7,10-11H,2-6,8-9H2,1H3,(H,16,18).
What are the key properties of 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide?
5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide has a molecular weight of 345.31 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)thiophene-3-carboxamide is sourced from PubChem (CID 54907003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).