2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide

C22H26N4O3 — CID 154819564

About 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide

2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 154819564) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide
• PubChem CID: 154819564
• Molecular Formula: C22H26N4O3
• Molecular Weight: 394.48 g/mol
• Exact Mass: 394.20
• IUPAC Name: 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide
• SMILES: COc1ccc2oc(N3CCCC(CC(=O)N(C)Cc4ccccn4)C3)nc2c1
• InChI: InChI=1S/C22H26N4O3/c1-25(15-17-7-3-4-10-23-17)21(27)12-16-6-5-11-26(14-16)22-24-19-13-18(28-2)8-9-20(19)29-22/h3-4,7-10,13,16H,5-6,11-12,14-15H2,1-2H3
• InChIKey: SCLMFVZJYGZWDC-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 71.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.48
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide?

The IUPAC name of 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide (CID 154819564) is 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide?

The canonical SMILES for 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide is COc1ccc2oc(N3CCCC(CC(=O)N(C)Cc4ccccn4)C3)nc2c1.

What is the InChIKey of 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide?

The InChIKey is SCLMFVZJYGZWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-25(15-17-7-3-4-10-23-17)21(27)12-16-6-5-11-26(14-16)22-24-19-13-18(28-2)8-9-20(19)29-22/h3-4,7-10,13,16H,5-6,11-12,14-15H2,1-2H3.

What are the key properties of 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide?

2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 394.48 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 154819564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).