N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide

C26H28F3N3O4 — CID 46016035

About N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide

N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide (PubChem CID 46016035) has the molecular formula C26H28F3N3O4 and a molecular weight of 503.52 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
• PubChem CID: 46016035
• Molecular Formula: C26H28F3N3O4
• Molecular Weight: 503.52 g/mol
• Exact Mass: 503.20
• IUPAC Name: N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
• SMILES: O=C(NC(C(=O)N1CCOCC1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1
• InChI: InChI=1S/C26H28F3N3O4/c27-26(28,29)21-8-6-20(7-9-21)24(34)31-12-10-18(11-13-31)22(25(35)32-14-16-36-17-15-32)30-23(33)19-4-2-1-3-5-19/h1-9,18,22H,10-17H2,(H,30,33)
• InChIKey: UUHRBYZJCKJDLA-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.52
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide?

The IUPAC name of N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide (CID 46016035) is N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide.

What is the SMILES notation for N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide?

The canonical SMILES for N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide is O=C(NC(C(=O)N1CCOCC1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1.

What is the InChIKey of N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide?

The InChIKey is UUHRBYZJCKJDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3O4/c27-26(28,29)21-8-6-20(7-9-21)24(34)31-12-10-18(11-13-31)22(25(35)32-14-16-36-17-15-32)30-23(33)19-4-2-1-3-5-19/h1-9,18,22H,10-17H2,(H,30,33).

What are the key properties of N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide?

N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide has a molecular weight of 503.52 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-morpholin-4-yl-2-oxo-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 46016035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).