(3-methoxy-4-prop-1-en-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone

C24H28F3N3O3 — CID 59053471

About (3-methoxy-4-prop-1-en-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone

(3-methoxy-4-prop-1-en-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone (PubChem CID 59053471) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is (3-methoxy-4-prop-1-en-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone.

Molecular Properties

• Compound Name: (3-methoxy-4-prop-1-en-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone
• PubChem CID: 59053471
• Molecular Formula: C24H28F3N3O3
• Molecular Weight: 463.50 g/mol
• Exact Mass: 463.21
• IUPAC Name: (3-methoxy-4-prop-1-en-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone
• SMILES: C=C(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1OC
• InChI: InChI=1S/C24H28F3N3O3/c1-16(2)33-18-6-5-17(15-19(18)32-4)22(31)29-11-9-23(10-12-29)20-7-8-21(24(25,26)27)30(20)14-13-28(23)3/h5-8,15H,1,9-14H2,2-4H3
• InChIKey: MEBNFQGMNRNLEO-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 46.94 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.50
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-prop-1-en-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone?

The IUPAC name of (3-methoxy-4-prop-1-en-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone (CID 59053471) is (3-methoxy-4-prop-1-en-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone.

What is the SMILES notation for (3-methoxy-4-prop-1-en-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone?

The canonical SMILES for (3-methoxy-4-prop-1-en-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone is C=C(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1OC.

What is the InChIKey of (3-methoxy-4-prop-1-en-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone?

The InChIKey is MEBNFQGMNRNLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O3/c1-16(2)33-18-6-5-17(15-19(18)32-4)22(31)29-11-9-23(10-12-29)20-7-8-21(24(25,26)27)30(20)14-13-28(23)3/h5-8,15H,1,9-14H2,2-4H3.

What are the key properties of (3-methoxy-4-prop-1-en-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone?

(3-methoxy-4-prop-1-en-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone has a molecular weight of 463.50 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methoxy-4-prop-1-en-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 59053471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).