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

C28H32F3N3O3 — CID 46020036

About 3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide

3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide (PubChem CID 46020036) has the molecular formula C28H32F3N3O3 and a molecular weight of 515.58 g/mol. Its IUPAC name is 3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
• PubChem CID: 46020036
• Molecular Formula: C28H32F3N3O3
• Molecular Weight: 515.58 g/mol
• Exact Mass: 515.24
• IUPAC Name: 3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide
• SMILES: Cc1cccc(C(=O)NC(C(=O)N2CCCCC2)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1
• InChI: InChI=1S/C28H32F3N3O3/c1-19-6-5-7-22(18-19)25(35)32-24(27(37)33-14-3-2-4-15-33)20-12-16-34(17-13-20)26(36)21-8-10-23(11-9-21)28(29,30)31/h5-11,18,20,24H,2-4,12-17H2,1H3,(H,32,35)
• InChIKey: LXWWJFYPXRCIRC-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 69.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.58
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide?

The IUPAC name of 3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide (CID 46020036) is 3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide.

What is the SMILES notation for 3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide?

The canonical SMILES for 3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide is Cc1cccc(C(=O)NC(C(=O)N2CCCCC2)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1.

What is the InChIKey of 3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide?

The InChIKey is LXWWJFYPXRCIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N3O3/c1-19-6-5-7-22(18-19)25(35)32-24(27(37)33-14-3-2-4-15-33)20-12-16-34(17-13-20)26(36)21-8-10-23(11-9-21)28(29,30)31/h5-11,18,20,24H,2-4,12-17H2,1H3,(H,32,35).

What are the key properties of 3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide?

3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide has a molecular weight of 515.58 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[2-oxo-2-piperidin-1-yl-1-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]benzamide is sourced from PubChem (CID 46020036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).