5-bromo-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide

C13H17BrN2O3 — CID 930140

IUPAC5-bromo-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1coc(=O)c(Br)c1
InChIInChI=1S/C13H17BrN2O3/c14-11-8-10(9-19-13(11)18)12(17)15-4-7-16-5-2-1-3-6-16/h8-9H,1-7H2,(H,15,17)
InChIKeyUAEYQQGRYCHCSU-UHFFFAOYSA-N
MW329.19 g/mol
LogP1.62
Rot. Bonds4

About 5-bromo-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide

5-bromo-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide (PubChem CID 930140) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-bromo-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide
PubChem CID930140
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name5-bromo-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1coc(=O)c(Br)c1
InChIInChI=1S/C13H17BrN2O3/c14-11-8-10(9-19-13(11)18)12(17)15-4-7-16-5-2-1-3-6-16/h8-9H,1-7H2,(H,15,17)
InChIKeyUAEYQQGRYCHCSU-UHFFFAOYSA-N
XLogP1.62
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide?
The IUPAC name of 5-bromo-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide (CID 930140) is 5-bromo-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide.
What is the SMILES notation for 5-bromo-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide?
The canonical SMILES for 5-bromo-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide is O=C(NCCN1CCCCC1)c1coc(=O)c(Br)c1.
What is the InChIKey of 5-bromo-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide?
The InChIKey is UAEYQQGRYCHCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c14-11-8-10(9-19-13(11)18)12(17)15-4-7-16-5-2-1-3-6-16/h8-9H,1-7H2,(H,15,17).
What are the key properties of 5-bromo-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide?
5-bromo-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide has a molecular weight of 329.19 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-oxo-N-(2-piperidin-1-ylethyl)pyran-3-carboxamide is sourced from PubChem (CID 930140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).