[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium

C18H24F3N4O4+ — CID 8642248

About [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium

[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium (PubChem CID 8642248) has the molecular formula C18H24F3N4O4+ and a molecular weight of 417.41 g/mol. Its IUPAC name is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium.

Molecular Properties

• Compound Name: [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
• PubChem CID: 8642248
• Molecular Formula: C18H24F3N4O4+
• Molecular Weight: 417.41 g/mol
• Exact Mass: 417.17
• IUPAC Name: [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
• SMILES: C[NH+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC(=O)N1CCCC[C@@H]1C(N)=O
• InChI: InChI=1S/C18H23F3N4O4/c1-24(11-16(27)25-9-3-2-4-14(25)17(22)28)10-15(26)23-12-5-7-13(8-6-12)29-18(19,20)21/h5-8,14H,2-4,9-11H2,1H3,(H2,22,28)(H,23,26)/p+1/t14-/m1/s1
• InChIKey: XILATWYZRIUDMY-CQSZACIVSA-O
• XLogP: -0.10
• TPSA: 106.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.41
LogP ≤ 5	-0.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?

The IUPAC name of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium (CID 8642248) is [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium.

What is the SMILES notation for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?

The canonical SMILES for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium is C[NH+](CC(=O)Nc1ccc(OC(F)(F)F)cc1)CC(=O)N1CCCC[C@@H]1C(N)=O.

What is the InChIKey of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?

The InChIKey is XILATWYZRIUDMY-CQSZACIVSA-O. The full InChI is InChI=1S/C18H23F3N4O4/c1-24(11-16(27)25-9-3-2-4-14(25)17(22)28)10-15(26)23-12-5-7-13(8-6-12)29-18(19,20)21/h5-8,14H,2-4,9-11H2,1H3,(H2,22,28)(H,23,26)/p+1/t14-/m1/s1.

What are the key properties of [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?

[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium has a molecular weight of 417.41 g/mol, XLogP of -0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium is sourced from PubChem (CID 8642248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).