4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one

C20H27N3O3 — CID 54739615

About 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one (PubChem CID 54739615) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one
• PubChem CID: 54739615
• Molecular Formula: C20H27N3O3
• Molecular Weight: 357.45 g/mol
• Exact Mass: 357.21
• IUPAC Name: 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one
• SMILES: COCCn1c(C)cc(O)c([C@@H](c2ccccn2)N2CCCCC2)c1=O
• InChI: InChI=1S/C20H27N3O3/c1-15-14-17(24)18(20(25)23(15)12-13-26-2)19(16-8-4-5-9-21-16)22-10-6-3-7-11-22/h4-5,8-9,14,19,24H,3,6-7,10-13H2,1-2H3/t19-/m1/s1
• InChIKey: VIXHQDBPGSWHRO-LJQANCHMSA-N
• XLogP: 2.48
• TPSA: 67.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.45
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one?

The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one (CID 54739615) is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one.

What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one?

The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one is COCCn1c(C)cc(O)c([C@@H](c2ccccn2)N2CCCCC2)c1=O.

What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one?

The InChIKey is VIXHQDBPGSWHRO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15-14-17(24)18(20(25)23(15)12-13-26-2)19(16-8-4-5-9-21-16)22-10-6-3-7-11-22/h4-5,8-9,14,19,24H,3,6-7,10-13H2,1-2H3/t19-/m1/s1.

What are the key properties of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one?

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one has a molecular weight of 357.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(S)-piperidin-1-yl(pyridin-2-yl)methyl]pyridin-2-one is sourced from PubChem (CID 54739615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).