2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide

C28H33F3N2O4 — CID 171698789

About 2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide

2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 171698789) has the molecular formula C28H33F3N2O4 and a molecular weight of 518.58 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide
• PubChem CID: 171698789
• Molecular Formula: C28H33F3N2O4
• Molecular Weight: 518.58 g/mol
• Exact Mass: 518.24
• IUPAC Name: 2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide
• SMILES: O=C(CC1CCOCC1)Nc1ccc(C2CCN(C(=O)CCc3ccc(OC(F)(F)F)cc3)CC2)cc1
• InChI: InChI=1S/C28H33F3N2O4/c29-28(30,31)37-25-8-1-20(2-9-25)3-10-27(35)33-15-11-23(12-16-33)22-4-6-24(7-5-22)32-26(34)19-21-13-17-36-18-14-21/h1-2,4-9,21,23H,3,10-19H2,(H,32,34)
• InChIKey: VSRFDTBQHIITJY-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.58
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide?

The IUPAC name of 2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide (CID 171698789) is 2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide.

What is the SMILES notation for 2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide?

The canonical SMILES for 2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide is O=C(CC1CCOCC1)Nc1ccc(C2CCN(C(=O)CCc3ccc(OC(F)(F)F)cc3)CC2)cc1.

What is the InChIKey of 2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide?

The InChIKey is VSRFDTBQHIITJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F3N2O4/c29-28(30,31)37-25-8-1-20(2-9-25)3-10-27(35)33-15-11-23(12-16-33)22-4-6-24(7-5-22)32-26(34)19-21-13-17-36-18-14-21/h1-2,4-9,21,23H,3,10-19H2,(H,32,34).

What are the key properties of 2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide?

2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 518.58 g/mol, XLogP of 5.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(oxan-4-yl)-N-[4-[1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 171698789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).