[(1R,2'S)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[4-methyl-1'-[5-(3-methylbutoxy)pyridine-2-carbonyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C₉₈H₁₂₈F₉N₁₃O₁₂ — CID 158839756

About [(1R,2'S)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[4-methyl-1'-[5-(3-methylbutoxy)pyridine-2-carbonyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

[(1R,2'S)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[4-methyl-1'-[5-(3-methylbutoxy)pyridine-2-carbonyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 158839756) has the molecular formula C₉₈H₁₂₈F₉N₁₃O₁₂ and a molecular weight of 1851.16 g/mol. Its IUPAC name is [(1R,2'S)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[4-methyl-1'-[5-(3-methylbutoxy)pyridine-2-carbonyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: [(1R,2'S)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[4-methyl-1'-[5-(3-methylbutoxy)pyridine-2-carbonyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 158839756
• Molecular Formula: C₉₈H₁₂₈F₉N₁₃O₁₂
• Molecular Weight: 1851.16 g/mol
• Exact Mass: 1849.97
• IUPAC Name: [(1R,2'S)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[4-methyl-1'-[5-(3-methylbutoxy)pyridine-2-carbonyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC(C)CCOc1ccc(C(=O)N2CCC3(CC2)NCC(C)n2c(C(=O)C(F)(F)F)ccc23)nc1.COc1cc(C(=O)N2CC[C@@]3(C[C@@H]2C)c2ccc(C(F)(F)F)n2CCN3C)ccc1OC(C)C.COc1ccc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(=O)C(F)(F)F)ccc23)cc1C.COc1ccc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(C)=O)ccc23)cc1C.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H31F3N4O3.C25H32F3N3O3.C24H28F3N3O3.C24H31N3O3.3H2/c1-16(2)8-13-35-18-4-5-19(29-15-18)23(34)31-11-9-24(10-12-31)21-7-6-20(22(33)25(26,27)28)32(21)17(3)14-30-24;1-16(2)34-19-7-6-18(14-20(19)33-5)23(32)30-11-10-24(15-17(30)3)21-8-9-22(25(26,27)28)31(21)13-12-29(24)4;1-15-13-16(5-7-18(15)33-4)21(32)29-11-9-23(10-12-29)19-8-6-17(20(31)24(25,26)27)30(19)14-22(2,3)28-23;1-16-14-18(6-8-20(16)30-5)22(29)26-12-10-24(11-13-26)21-9-7-19(17(2)28)27(21)15-23(3,4)25-24;;;/h4-7,15-17,30H,8-14H2,1-3H3;6-9,14,16-17H,10-13,15H2,1-5H3;5-8,13,28H,9-12,14H2,1-4H3;6-9,14,25H,10-13,15H2,1-5H3;3*1H/t;17-,24+;;;;;/m.0...../s1
• InChIKey: IYBXMIXFUSQRLO-DAOOAZFWSA-N
• XLogP: 17.44
• TPSA: 250.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1851.16
LogP ≤ 5	17.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of [(1R,2'S)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[4-methyl-1'-[5-(3-methylbutoxy)pyridine-2-carbonyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of [(1R,2'S)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[4-methyl-1'-[5-(3-methylbutoxy)pyridine-2-carbonyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 158839756) is [(1R,2'S)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[4-methyl-1'-[5-(3-methylbutoxy)pyridine-2-carbonyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for [(1R,2'S)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[4-methyl-1'-[5-(3-methylbutoxy)pyridine-2-carbonyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for [(1R,2'S)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[4-methyl-1'-[5-(3-methylbutoxy)pyridine-2-carbonyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(C)CCOc1ccc(C(=O)N2CCC3(CC2)NCC(C)n2c(C(=O)C(F)(F)F)ccc23)nc1.COc1cc(C(=O)N2CC[C@@]3(C[C@@H]2C)c2ccc(C(F)(F)F)n2CCN3C)ccc1OC(C)C.COc1ccc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(=O)C(F)(F)F)ccc23)cc1C.COc1ccc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(C)=O)ccc23)cc1C.[H][H].[H][H].[H][H].

What is the InChIKey of [(1R,2'S)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[4-methyl-1'-[5-(3-methylbutoxy)pyridine-2-carbonyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is IYBXMIXFUSQRLO-DAOOAZFWSA-N. The full InChI is InChI=1S/C25H31F3N4O3.C25H32F3N3O3.C24H28F3N3O3.C24H31N3O3.3H2/c1-16(2)8-13-35-18-4-5-19(29-15-18)23(34)31-11-9-24(10-12-31)21-7-6-20(22(33)25(26,27)28)32(21)17(3)14-30-24;1-16(2)34-19-7-6-18(14-20(19)33-5)23(32)30-11-10-24(15-17(30)3)21-8-9-22(25(26,27)28)31(21)13-12-29(24)4;1-15-13-16(5-7-18(15)33-4)21(32)29-11-9-23(10-12-29)19-8-6-17(20(31)24(25,26)27)30(19)14-22(2,3)28-23;1-16-14-18(6-8-20(16)30-5)22(29)26-12-10-24(11-13-26)21-9-7-19(17(2)28)27(21)15-23(3,4)25-24;;;/h4-7,15-17,30H,8-14H2,1-3H3;6-9,14,16-17H,10-13,15H2,1-5H3;5-8,13,28H,9-12,14H2,1-4H3;6-9,14,25H,10-13,15H2,1-5H3;3*1H/t;17-,24+;;;;;/m.0...../s1.

What are the key properties of [(1R,2'S)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[4-methyl-1'-[5-(3-methylbutoxy)pyridine-2-carbonyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

[(1R,2'S)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[4-methyl-1'-[5-(3-methylbutoxy)pyridine-2-carbonyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1851.16 g/mol, XLogP of 17.44, 16 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,2'S)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[4-methyl-1'-[5-(3-methylbutoxy)pyridine-2-carbonyl]spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 158839756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158839756 — identifiers, structure, computed properties (public domain)

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