(3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide

C22H28N2O6 — CID 124876743

About (3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide

(3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide (PubChem CID 124876743) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is (3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide.

Molecular Properties

• Compound Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide
• PubChem CID: 124876743
• Molecular Formula: C22H28N2O6
• Molecular Weight: 416.47 g/mol
• Exact Mass: 416.19
• IUPAC Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide
• SMILES: COc1ccc([C@@H](CC(N)=O)c2oc(CN3CCCCC3)cc(=O)c2O)cc1OC
• InChI: InChI=1S/C22H28N2O6/c1-28-18-7-6-14(10-19(18)29-2)16(12-20(23)26)22-21(27)17(25)11-15(30-22)13-24-8-4-3-5-9-24/h6-7,10-11,16,27H,3-5,8-9,12-13H2,1-2H3,(H2,23,26)/t16-/m1/s1
• InChIKey: GXIRMOJFHRUDBH-MRXNPFEDSA-N
• XLogP: 2.36
• TPSA: 115.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.47
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide?

The IUPAC name of (3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide (CID 124876743) is (3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide.

What is the SMILES notation for (3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide?

The canonical SMILES for (3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide is COc1ccc([C@@H](CC(N)=O)c2oc(CN3CCCCC3)cc(=O)c2O)cc1OC.

What is the InChIKey of (3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide?

The InChIKey is GXIRMOJFHRUDBH-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H28N2O6/c1-28-18-7-6-14(10-19(18)29-2)16(12-20(23)26)22-21(27)17(25)11-15(30-22)13-24-8-4-3-5-9-24/h6-7,10-11,16,27H,3-5,8-9,12-13H2,1-2H3,(H2,23,26)/t16-/m1/s1.

What are the key properties of (3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide?

(3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide has a molecular weight of 416.47 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide is sourced from PubChem (CID 124876743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).