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

C13H17BrN2O2S — CID 47250893

IUPAC5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C13H17BrN2O2S/c14-11-5-4-10(19-11)13(18)15-7-6-12(17)16-8-2-1-3-9-16/h4-5H,1-3,6-9H2,(H,15,18)
InChIKeyTWAAAFKXKBCJJZ-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.64
Rot. Bonds4

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

5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide (PubChem CID 47250893) has the molecular formula C13H17BrN2O2S and a molecular weight of 345.26 g/mol. Its IUPAC name is 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
PubChem CID47250893
Molecular FormulaC13H17BrN2O2S
Molecular Weight345.26 g/mol
Exact Mass344.02
IUPAC Name5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C13H17BrN2O2S/c14-11-5-4-10(19-11)13(18)15-7-6-12(17)16-8-2-1-3-9-16/h4-5H,1-3,6-9H2,(H,15,18)
InChIKeyTWAAAFKXKBCJJZ-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 55029116
5-bromo-4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 115683330
5-bromo-N-[2-(cycloheptylamino)ethyl]thiophene-2-carboxamide
CID 81483299
5-(5-methylfuran-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)thiophene-2-carboxamide
CID 75501372
5-bromo-N-(2-piperazin-1-ylethyl)thiophene-2-carboxamide
CID 43600302
5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 61073693
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 18157094
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
1-(aziridin-1-yl)-4-(5-bromothiophen-2-yl)butane-1,4-dione
CID 82124402
5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide
CID 47098978
1-[4-(5-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110805994
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide (CID 47250893) is 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide is O=C(NCCC(=O)N1CCCCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide?
The InChIKey is TWAAAFKXKBCJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2S/c14-11-5-4-10(19-11)13(18)15-7-6-12(17)16-8-2-1-3-9-16/h4-5H,1-3,6-9H2,(H,15,18).
What are the key properties of 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide?
5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide has a molecular weight of 345.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-oxo-3-piperidin-1-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 47250893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).