4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide

C13H19BrN2OS — CID 25235995

IUPAC4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCCCN1CCC(NC(=O)c2cc(Br)cs2)CC1
InChIInChI=1S/C13H19BrN2OS/c1-2-5-16-6-3-11(4-7-16)15-13(17)12-8-10(14)9-18-12/h8-9,11H,2-7H2,1H3,(H,15,17)
InChIKeyURYALGPUBBWPHF-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.11
Rot. Bonds4

About 4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide

4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 25235995) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is 4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID25235995
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC Name4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCCCN1CCC(NC(=O)c2cc(Br)cs2)CC1
InChIInChI=1S/C13H19BrN2OS/c1-2-5-16-6-3-11(4-7-16)15-13(17)12-8-10(14)9-18-12/h8-9,11H,2-7H2,1H3,(H,15,17)
InChIKeyURYALGPUBBWPHF-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

4-bromo-N-cyclopropylthiophene-2-carboxamide
CID 110763428
5-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
CID 17249869
4-bromo-N-cyclopentylthiophene-2-carboxamide
CID 110763431
5-bromo-2-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 103603311
2-amino-4-bromo-N-(1-propylpiperidin-4-yl)benzamide
CID 79722366
2,6-dichloro-N-(1-propylpiperidin-4-yl)benzamide
CID 17249839
3,5-dimethoxy-N-(1-propylpiperidin-4-yl)benzamide
CID 17250187
2-amino-5-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 62509244
4-bromo-N-(1-butylpiperidin-4-yl)-1-methylpyrrole-2-carboxamide
CID 60956390
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
N-(1-propylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249951
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide (CID 25235995) is 4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide is CCCN1CCC(NC(=O)c2cc(Br)cs2)CC1.
What is the InChIKey of 4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is URYALGPUBBWPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-2-5-16-6-3-11(4-7-16)15-13(17)12-8-10(14)9-18-12/h8-9,11H,2-7H2,1H3,(H,15,17).
What are the key properties of 4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide?
4-bromo-N-(1-propylpiperidin-4-yl)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 4-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 25235995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).