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

C27H38FN3O3 — CID 59252315

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

N-[4-[2-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-4-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide (PubChem CID 59252315) has the molecular formula C27H38FN3O3 and a molecular weight of 471.62 g/mol. Its IUPAC name is N-[4-[2-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-4-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-4-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
• PubChem CID: 59252315
• Molecular Formula: C27H38FN3O3
• Molecular Weight: 471.62 g/mol
• Exact Mass: 471.29
• IUPAC Name: N-[4-[2-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-4-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide
• SMILES: O=C(CC1CCOCC1)NC1CCC(CCC2CCN(c3noc4cc(F)ccc34)CC2)CC1
• InChI: InChI=1S/C27H38FN3O3/c28-22-5-8-24-25(18-22)34-30-27(24)31-13-9-20(10-14-31)2-1-19-3-6-23(7-4-19)29-26(32)17-21-11-15-33-16-12-21/h5,8,18-21,23H,1-4,6-7,9-17H2,(H,29,32)
• InChIKey: CNDSOJZAGDFRFT-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.62
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-[2-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-4-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide (CID 59252315) is N-[4-[2-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-4-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide.

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

The canonical SMILES for N-[4-[2-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-4-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)NC1CCC(CCC2CCN(c3noc4cc(F)ccc34)CC2)CC1.

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

The InChIKey is CNDSOJZAGDFRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38FN3O3/c28-22-5-8-24-25(18-22)34-30-27(24)31-13-9-20(10-14-31)2-1-19-3-6-23(7-4-19)29-26(32)17-21-11-15-33-16-12-21/h5,8,18-21,23H,1-4,6-7,9-17H2,(H,29,32).

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

N-[4-[2-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-4-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide has a molecular weight of 471.62 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[1-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-4-yl]ethyl]cyclohexyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 59252315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).