3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]piperidin-2-one

C15H17BrN2O2 — CID 62093204

IUPAC3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]piperidin-2-one
SMILESCC(NC1CCCNC1=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H17BrN2O2/c1-9(18-12-3-2-6-17-15(12)19)14-8-10-7-11(16)4-5-13(10)20-14/h4-5,7-9,12,18H,2-3,6H2,1H3,(H,17,19)
InChIKeyRWNIVPWEZJWLGF-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.12
Rot. Bonds3

About 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]piperidin-2-one

3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]piperidin-2-one (PubChem CID 62093204) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]piperidin-2-one
PubChem CID62093204
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]piperidin-2-one
SMILESCC(NC1CCCNC1=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C15H17BrN2O2/c1-9(18-12-3-2-6-17-15(12)19)14-8-10-7-11(16)4-5-13(10)20-14/h4-5,7-9,12,18H,2-3,6H2,1H3,(H,17,19)
InChIKeyRWNIVPWEZJWLGF-UHFFFAOYSA-N
XLogP3.12
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]piperidin-2-one?
The IUPAC name of 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]piperidin-2-one (CID 62093204) is 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]piperidin-2-one.
What is the SMILES notation for 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]piperidin-2-one?
The canonical SMILES for 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]piperidin-2-one is CC(NC1CCCNC1=O)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]piperidin-2-one?
The InChIKey is RWNIVPWEZJWLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c1-9(18-12-3-2-6-17-15(12)19)14-8-10-7-11(16)4-5-13(10)20-14/h4-5,7-9,12,18H,2-3,6H2,1H3,(H,17,19).
What are the key properties of 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]piperidin-2-one?
3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]piperidin-2-one has a molecular weight of 337.22 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-bromo-1-benzofuran-2-yl)ethylamino]piperidin-2-one is sourced from PubChem (CID 62093204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).