5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide

C13H19BrN2OS — CID 79990331

IUPAC5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(C)c(Br)s1)C1CCNCC1
InChIInChI=1S/C13H19BrN2OS/c1-3-16(10-4-6-15-7-5-10)13(17)11-8-9(2)12(14)18-11/h8,10,15H,3-7H2,1-2H3
InChIKeySHBBHQNRILQHGZ-UHFFFAOYSA-N
MW331.28 g/mol
LogP3.03
Rot. Bonds3

About 5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide

5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide (PubChem CID 79990331) has the molecular formula C13H19BrN2OS and a molecular weight of 331.28 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide
PubChem CID79990331
Molecular FormulaC13H19BrN2OS
Molecular Weight331.28 g/mol
Exact Mass330.04
IUPAC Name5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide
SMILESCCN(C(=O)c1cc(C)c(Br)s1)C1CCNCC1
InChIInChI=1S/C13H19BrN2OS/c1-3-16(10-4-6-15-7-5-10)13(17)11-8-9(2)12(14)18-11/h8,10,15H,3-7H2,1-2H3
InChIKeySHBBHQNRILQHGZ-UHFFFAOYSA-N
XLogP3.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

4,5-dibromo-N-ethyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 80537895
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-methylthiophene-2-carboxamide
CID 79988886
N-(8-azabicyclo[3.2.1]octan-3-yl)-4,5-dibromo-N-ethylthiophene-2-carboxamide
CID 80537937
N-ethyl-2,4-dimethyl-N-piperidin-4-ylbenzamide
CID 60807085
2-bromo-N-ethyl-N-piperidin-4-yl-5-sulfanylbenzamide
CID 107024073
5-bromo-N-cyclopropyl-4-methyl-N-[(3-methylphenyl)methyl]thiophene-2-carboxamide
CID 79987448
5-bromo-N-cyclopropyl-4-methyl-N-[(5-methylfuran-2-yl)methyl]thiophene-2-carboxamide
CID 79926716
5-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748328
5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide
CID 79990881
N-ethyl-N-pyrrolidin-3-ylthieno[3,2-b]thiophene-5-carboxamide
CID 80745714
(5-bromo-4-methylthiophen-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 79964467
N-ethyl-5-fluoro-2-methyl-N-piperidin-4-ylbenzamide
CID 63048793

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide (CID 79990331) is 5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide is CCN(C(=O)c1cc(C)c(Br)s1)C1CCNCC1.
What is the InChIKey of 5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide?
The InChIKey is SHBBHQNRILQHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2OS/c1-3-16(10-4-6-15-7-5-10)13(17)11-8-9(2)12(14)18-11/h8,10,15H,3-7H2,1-2H3.
What are the key properties of 5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide?
5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide has a molecular weight of 331.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-4-methyl-N-piperidin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 79990331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).