2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C24H27F4N3O3 — CID 59054238

About 2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 59054238) has the molecular formula C24H27F4N3O3 and a molecular weight of 481.49 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 59054238
• Molecular Formula: C24H27F4N3O3
• Molecular Weight: 481.49 g/mol
• Exact Mass: 481.20
• IUPAC Name: 2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1F
• InChI: InChI=1S/C24H27F4N3O3/c1-15(2)34-19-6-4-16(14-17(19)25)22(33)30-10-8-23(9-11-30)20-7-5-18(21(32)24(26,27)28)31(20)13-12-29(23)3/h4-7,14-15H,8-13H2,1-3H3
• InChIKey: SYRKAWIVISWXKH-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 54.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.49
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of 2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 59054238) is 2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for 2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for 2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1F.

What is the InChIKey of 2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is SYRKAWIVISWXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F4N3O3/c1-15(2)34-19-6-4-16(14-17(19)25)22(33)30-10-8-23(9-11-30)20-7-5-18(21(32)24(26,27)28)31(20)13-12-29(23)3/h4-7,14-15H,8-13H2,1-3H3.

What are the key properties of 2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 481.49 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 59054238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).