N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride

C20H23ClN2O5 — CID 171712491

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride (PubChem CID 171712491) has the molecular formula C20H23ClN2O5 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
• PubChem CID: 171712491
• Molecular Formula: C20H23ClN2O5
• Molecular Weight: 406.87 g/mol
• Exact Mass: 406.13
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
• SMILES: Cc1cc(C2CCCNC2)oc(=O)c1C(=O)Nc1ccc2c(c1)OCCO2.Cl
• InChI: InChI=1S/C20H22N2O5.ClH/c1-12-9-16(13-3-2-6-21-11-13)27-20(24)18(12)19(23)22-14-4-5-15-17(10-14)26-8-7-25-15;/h4-5,9-10,13,21H,2-3,6-8,11H2,1H3,(H,22,23);1H
• InChIKey: RHBOSSVYSSUOMQ-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 89.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.87
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride (CID 171712491) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride is Cc1cc(C2CCCNC2)oc(=O)c1C(=O)Nc1ccc2c(c1)OCCO2.Cl.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride?

The InChIKey is RHBOSSVYSSUOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5.ClH/c1-12-9-16(13-3-2-6-21-11-13)27-20(24)18(12)19(23)22-14-4-5-15-17(10-14)26-8-7-25-15;/h4-5,9-10,13,21H,2-3,6-8,11H2,1H3,(H,22,23);1H.

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride has a molecular weight of 406.87 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride is sourced from PubChem (CID 171712491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).