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

C13H19N2O3+ — CID 6955708

IUPAC6-oxo-N-(2-piperidin-1-ium-1-ylethyl)pyran-3-carboxamide
SMILESO=C(NCC[NH+]1CCCCC1)c1ccc(=O)oc1
InChIInChI=1S/C13H18N2O3/c16-12-5-4-11(10-18-12)13(17)14-6-9-15-7-2-1-3-8-15/h4-5,10H,1-3,6-9H2,(H,14,17)/p+1
InChIKeyAUCCSLDJMHOAAZ-UHFFFAOYSA-O
MW251.31 g/mol
LogP-0.56
Rot. Bonds4

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

6-oxo-N-(2-piperidin-1-ium-1-ylethyl)pyran-3-carboxamide (PubChem CID 6955708) has the molecular formula C13H19N2O3+ and a molecular weight of 251.31 g/mol. Its IUPAC name is 6-oxo-N-(2-piperidin-1-ium-1-ylethyl)pyran-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(2-piperidin-1-ium-1-ylethyl)pyran-3-carboxamide
PubChem CID6955708
Molecular FormulaC13H19N2O3+
Molecular Weight251.31 g/mol
Exact Mass251.14
IUPAC Name6-oxo-N-(2-piperidin-1-ium-1-ylethyl)pyran-3-carboxamide
SMILESO=C(NCC[NH+]1CCCCC1)c1ccc(=O)oc1
InChIInChI=1S/C13H18N2O3/c16-12-5-4-11(10-18-12)13(17)14-6-9-15-7-2-1-3-8-15/h4-5,10H,1-3,6-9H2,(H,14,17)/p+1
InChIKeyAUCCSLDJMHOAAZ-UHFFFAOYSA-O
XLogP-0.56
TPSA63.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(2-piperidin-1-ium-1-ylethyl)pyran-3-carboxamide?
The IUPAC name of 6-oxo-N-(2-piperidin-1-ium-1-ylethyl)pyran-3-carboxamide (CID 6955708) is 6-oxo-N-(2-piperidin-1-ium-1-ylethyl)pyran-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(2-piperidin-1-ium-1-ylethyl)pyran-3-carboxamide?
The canonical SMILES for 6-oxo-N-(2-piperidin-1-ium-1-ylethyl)pyran-3-carboxamide is O=C(NCC[NH+]1CCCCC1)c1ccc(=O)oc1.
What is the InChIKey of 6-oxo-N-(2-piperidin-1-ium-1-ylethyl)pyran-3-carboxamide?
The InChIKey is AUCCSLDJMHOAAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18N2O3/c16-12-5-4-11(10-18-12)13(17)14-6-9-15-7-2-1-3-8-15/h4-5,10H,1-3,6-9H2,(H,14,17)/p+1.
What are the key properties of 6-oxo-N-(2-piperidin-1-ium-1-ylethyl)pyran-3-carboxamide?
6-oxo-N-(2-piperidin-1-ium-1-ylethyl)pyran-3-carboxamide has a molecular weight of 251.31 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(2-piperidin-1-ium-1-ylethyl)pyran-3-carboxamide is sourced from PubChem (CID 6955708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).