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

C13H19BrN2O2S — CID 79990881

IUPAC5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCOC2CCNCC2)sc1Br
InChIInChI=1S/C13H19BrN2O2S/c1-9-8-11(19-12(9)14)13(17)16-6-7-18-10-2-4-15-5-3-10/h8,10,15H,2-7H2,1H3,(H,16,17)
InChIKeyPIICULVDDYYGQM-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.32
Rot. Bonds5

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

5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide (PubChem CID 79990881) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide
PubChem CID79990881
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCCOC2CCNCC2)sc1Br
InChIInChI=1S/C13H19BrN2O2S/c1-9-8-11(19-12(9)14)13(17)16-6-7-18-10-2-4-15-5-3-10/h8,10,15H,2-7H2,1H3,(H,16,17)
InChIKeyPIICULVDDYYGQM-UHFFFAOYSA-N
XLogP2.32
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-bromo-4-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748328
N-(2-piperidin-4-yloxyethyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81266937
5-bromo-4-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]thiophene-2-carboxamide
CID 104955216
5-bromo-N-[3-(2-methoxyethoxy)propyl]-4-methylthiophene-2-carboxamide
CID 79952577
5-bromo-4-methyl-N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 79964430
5-bromo-4-methyl-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 103866666
3,4-dihydroxy-N-(2-piperidin-4-yloxyethyl)benzamide
CID 107728729
2-hydroxy-4-methyl-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63870104
3-bromo-5-fluoro-N-(2-piperidin-4-yloxyethyl)benzamide
CID 63869779
5-bromo-N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-methylthiophene-2-carboxamide
CID 113252510

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide (CID 79990881) is 5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide is Cc1cc(C(=O)NCCOC2CCNCC2)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide?
The InChIKey is PIICULVDDYYGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-9-8-11(19-12(9)14)13(17)16-6-7-18-10-2-4-15-5-3-10/h8,10,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide?
5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide has a molecular weight of 347.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-N-(2-piperidin-4-yloxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 79990881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).