2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(2-pyridin-3-ylethyl)acetamide

C21H23ClN4O2 — CID 155505666

About 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(2-pyridin-3-ylethyl)acetamide

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(2-pyridin-3-ylethyl)acetamide (PubChem CID 155505666) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(2-pyridin-3-ylethyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(2-pyridin-3-ylethyl)acetamide
• PubChem CID: 155505666
• Molecular Formula: C21H23ClN4O2
• Molecular Weight: 398.89 g/mol
• Exact Mass: 398.15
• IUPAC Name: 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(2-pyridin-3-ylethyl)acetamide
• SMILES: O=C(CC1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCCc1cccnc1
• InChI: InChI=1S/C21H23ClN4O2/c22-17-5-6-18-19(12-17)28-21(25-18)26-10-2-4-16(14-26)11-20(27)24-9-7-15-3-1-8-23-13-15/h1,3,5-6,8,12-13,16H,2,4,7,9-11,14H2,(H,24,27)
• InChIKey: XJPDBGGMEBCUOH-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 71.26 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	398.89
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(2-pyridin-3-ylethyl)acetamide?

The IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(2-pyridin-3-ylethyl)acetamide (CID 155505666) is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(2-pyridin-3-ylethyl)acetamide.

What is the SMILES notation for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(2-pyridin-3-ylethyl)acetamide?

The canonical SMILES for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(2-pyridin-3-ylethyl)acetamide is O=C(CC1CCCN(c2nc3ccc(Cl)cc3o2)C1)NCCc1cccnc1.

What is the InChIKey of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(2-pyridin-3-ylethyl)acetamide?

The InChIKey is XJPDBGGMEBCUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c22-17-5-6-18-19(12-17)28-21(25-18)26-10-2-4-16(14-26)11-20(27)24-9-7-15-3-1-8-23-13-15/h1,3,5-6,8,12-13,16H,2,4,7,9-11,14H2,(H,24,27).

What are the key properties of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(2-pyridin-3-ylethyl)acetamide?

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(2-pyridin-3-ylethyl)acetamide has a molecular weight of 398.89 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(2-pyridin-3-ylethyl)acetamide is sourced from PubChem (CID 155505666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).