2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide

C22H29N3O3 — CID 18566890

About 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide

2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide (PubChem CID 18566890) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
• PubChem CID: 18566890
• Molecular Formula: C22H29N3O3
• Molecular Weight: 383.49 g/mol
• Exact Mass: 383.22
• IUPAC Name: 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
• SMILES: COc1cn(CC(=O)Nc2cccc(C)c2)c(CN2CCC(C)CC2)cc1=O
• InChI: InChI=1S/C22H29N3O3/c1-16-7-9-24(10-8-16)13-19-12-20(26)21(28-3)14-25(19)15-22(27)23-18-6-4-5-17(2)11-18/h4-6,11-12,14,16H,7-10,13,15H2,1-3H3,(H,23,27)
• InChIKey: OXBZPSZXMIQVHS-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 63.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.49
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide?

The IUPAC name of 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide (CID 18566890) is 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide.

What is the SMILES notation for 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide?

The canonical SMILES for 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide is COc1cn(CC(=O)Nc2cccc(C)c2)c(CN2CCC(C)CC2)cc1=O.

What is the InChIKey of 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide?

The InChIKey is OXBZPSZXMIQVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16-7-9-24(10-8-16)13-19-12-20(26)21(28-3)14-25(19)15-22(27)23-18-6-4-5-17(2)11-18/h4-6,11-12,14,16H,7-10,13,15H2,1-3H3,(H,23,27).

What are the key properties of 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide?

2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide has a molecular weight of 383.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 18566890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).