3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide

C11H15BrN2OS — CID 63796952

IUPAC3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1sccc1Br
InChIInChI=1S/C11H15BrN2OS/c12-9-3-6-16-10(9)11(15)14-7-8-1-4-13-5-2-8/h3,6,8,13H,1-2,4-5,7H2,(H,14,15)
InChIKeyINYJYVCEQDJCFP-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.24
Rot. Bonds3

About 3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide

3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide (PubChem CID 63796952) has the molecular formula C11H15BrN2OS and a molecular weight of 303.23 g/mol. Its IUPAC name is 3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide
PubChem CID63796952
Molecular FormulaC11H15BrN2OS
Molecular Weight303.23 g/mol
Exact Mass302.01
IUPAC Name3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCC1CCNCC1)c1sccc1Br
InChIInChI=1S/C11H15BrN2OS/c12-9-3-6-16-10(9)11(15)14-7-8-1-4-13-5-2-8/h3,6,8,13H,1-2,4-5,7H2,(H,14,15)
InChIKeyINYJYVCEQDJCFP-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide (CID 63796952) is 3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide is O=C(NCC1CCNCC1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide?
The InChIKey is INYJYVCEQDJCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2OS/c12-9-3-6-16-10(9)11(15)14-7-8-1-4-13-5-2-8/h3,6,8,13H,1-2,4-5,7H2,(H,14,15).
What are the key properties of 3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide?
3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide has a molecular weight of 303.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 63796952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).