2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2,2-trifluoroacetic acid

C25H29F6N3O4 — CID 175349145

About 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2,2-trifluoroacetic acid

2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2,2-trifluoroacetic acid (PubChem CID 175349145) has the molecular formula C25H29F6N3O4 and a molecular weight of 549.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2,2-trifluoroacetic acid
• PubChem CID: 175349145
• Molecular Formula: C25H29F6N3O4
• Molecular Weight: 549.51 g/mol
• Exact Mass: 549.21
• IUPAC Name: 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1ccccc1[C@@H]1CNCC[C@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H28F3N3O2.C2HF3O2/c1-15-7-4-5-8-16(15)17-13-27-12-10-19(17)29-21(30)22(2,3)14-31-20-18(23(24,25)26)9-6-11-28-20;3-2(4,5)1(6)7/h4-9,11,17,19,27H,10,12-14H2,1-3H3,(H,29,30);(H,6,7)/t17-,19+;/m0./s1
• InChIKey: SKNIZKHNXAKDIN-JUOYHRLASA-N
• XLogP: 4.71
• TPSA: 100.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.51
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2,2-trifluoroacetic acid (CID 175349145) is 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2,2-trifluoroacetic acid is Cc1ccccc1[C@@H]1CNCC[C@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2,2-trifluoroacetic acid?

The InChIKey is SKNIZKHNXAKDIN-JUOYHRLASA-N. The full InChI is InChI=1S/C23H28F3N3O2.C2HF3O2/c1-15-7-4-5-8-16(15)17-13-27-12-10-19(17)29-21(30)22(2,3)14-31-20-18(23(24,25)26)9-6-11-28-20;3-2(4,5)1(6)7/h4-9,11,17,19,27H,10,12-14H2,1-3H3,(H,29,30);(H,6,7)/t17-,19+;/m0./s1.

What are the key properties of 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2,2-trifluoroacetic acid?

2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2,2-trifluoroacetic acid has a molecular weight of 549.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[(3R,4R)-3-(2-methylphenyl)piperidin-4-yl]-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175349145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).