2-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide

C23H33N3O2 — CID 66741173

About 2-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide

2-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (PubChem CID 66741173) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
• PubChem CID: 66741173
• Molecular Formula: C23H33N3O2
• Molecular Weight: 383.54 g/mol
• Exact Mass: 383.26
• IUPAC Name: 2-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
• SMILES: Cc1ccc2c(C3CCN(CCC4CCC(CC(N)=O)CC4)CC3)noc2c1
• InChI: InChI=1S/C23H33N3O2/c1-16-2-7-20-21(14-16)28-25-23(20)19-9-12-26(13-10-19)11-8-17-3-5-18(6-4-17)15-22(24)27/h2,7,14,17-19H,3-6,8-13,15H2,1H3,(H2,24,27)
• InChIKey: JUAFZWOQBCSUHE-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 72.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.54
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?

The IUPAC name of 2-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (CID 66741173) is 2-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.

What is the SMILES notation for 2-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?

The canonical SMILES for 2-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is Cc1ccc2c(C3CCN(CCC4CCC(CC(N)=O)CC4)CC3)noc2c1.

What is the InChIKey of 2-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?

The InChIKey is JUAFZWOQBCSUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-16-2-7-20-21(14-16)28-25-23(20)19-9-12-26(13-10-19)11-8-17-3-5-18(6-4-17)15-22(24)27/h2,7,14,17-19H,3-6,8-13,15H2,1H3,(H2,24,27).

What are the key properties of 2-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?

2-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 383.54 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[4-(6-methyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 66741173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).