(4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

C17H17F4N3O — CID 129479438

About (4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone

(4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 129479438) has the molecular formula C17H17F4N3O and a molecular weight of 355.34 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 129479438
• Molecular Formula: C17H17F4N3O
• Molecular Weight: 355.34 g/mol
• Exact Mass: 355.13
• IUPAC Name: (4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone
• SMILES: Cc1cc(F)ccc1C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1
• InChI: InChI=1S/C17H17F4N3O/c1-10-7-12(18)4-5-13(10)16(25)24-6-2-3-11(9-24)15-22-8-14(23-15)17(19,20)21/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,22,23)/t11-/m0/s1
• InChIKey: ANBYBYGSSJXEMA-NSHDSACASA-N
• XLogP: 3.90
• TPSA: 48.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.34
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone (CID 129479438) is (4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is Cc1cc(F)ccc1C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1.

What is the InChIKey of (4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is ANBYBYGSSJXEMA-NSHDSACASA-N. The full InChI is InChI=1S/C17H17F4N3O/c1-10-7-12(18)4-5-13(10)16(25)24-6-2-3-11(9-24)15-22-8-14(23-15)17(19,20)21/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,22,23)/t11-/m0/s1.

What are the key properties of (4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone?

(4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 355.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluoro-2-methylphenyl)-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 129479438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).