5-bromo-N-(2-oxo-2-piperidin-1-ylethyl)furan-2-carboxamide

C12H15BrN2O3 — CID 2977522

IUPAC5-bromo-N-(2-oxo-2-piperidin-1-ylethyl)furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCCCC1)c1ccc(Br)o1
InChIInChI=1S/C12H15BrN2O3/c13-10-5-4-9(18-10)12(17)14-8-11(16)15-6-2-1-3-7-15/h4-5H,1-3,6-8H2,(H,14,17)
InChIKeyUATCTXJLCXPZJE-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.78
Rot. Bonds3

About 5-bromo-N-(2-oxo-2-piperidin-1-ylethyl)furan-2-carboxamide

5-bromo-N-(2-oxo-2-piperidin-1-ylethyl)furan-2-carboxamide (PubChem CID 2977522) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-bromo-N-(2-oxo-2-piperidin-1-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-oxo-2-piperidin-1-ylethyl)furan-2-carboxamide
PubChem CID2977522
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC Name5-bromo-N-(2-oxo-2-piperidin-1-ylethyl)furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCCCC1)c1ccc(Br)o1
InChIInChI=1S/C12H15BrN2O3/c13-10-5-4-9(18-10)12(17)14-8-11(16)15-6-2-1-3-7-15/h4-5H,1-3,6-8H2,(H,14,17)
InChIKeyUATCTXJLCXPZJE-UHFFFAOYSA-N
XLogP1.78
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-oxo-2-piperidin-1-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-oxo-2-piperidin-1-ylethyl)furan-2-carboxamide (CID 2977522) is 5-bromo-N-(2-oxo-2-piperidin-1-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-oxo-2-piperidin-1-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-oxo-2-piperidin-1-ylethyl)furan-2-carboxamide is O=C(NCC(=O)N1CCCCC1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(2-oxo-2-piperidin-1-ylethyl)furan-2-carboxamide?
The InChIKey is UATCTXJLCXPZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c13-10-5-4-9(18-10)12(17)14-8-11(16)15-6-2-1-3-7-15/h4-5H,1-3,6-8H2,(H,14,17).
What are the key properties of 5-bromo-N-(2-oxo-2-piperidin-1-ylethyl)furan-2-carboxamide?
5-bromo-N-(2-oxo-2-piperidin-1-ylethyl)furan-2-carboxamide has a molecular weight of 315.17 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-oxo-2-piperidin-1-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 2977522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).