1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]ethanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methyl-4-pyridinyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C77H86F12N10O10 — CID 159134358

About 1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]ethanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methyl-4-pyridinyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]ethanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methyl-4-pyridinyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 159134358) has the molecular formula C77H86F12N10O10 and a molecular weight of 1539.57 g/mol. Its IUPAC name is 1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]ethanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methyl-4-pyridinyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]ethanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methyl-4-pyridinyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 159134358
• Molecular Formula: C77H86F12N10O10
• Molecular Weight: 1539.57 g/mol
• Exact Mass: 1538.63
• IUPAC Name: 1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]ethanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methyl-4-pyridinyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: COc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C(C)=O)ccc1OC(C)C.COc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OCCOC(F)(F)F.Cc1cc(-c2ccc(C(=O)N3CCC4(CC3)c3ccc(C(=O)C(F)(F)F)n3CCN4C)cc2C)ccn1
• InChI: InChI=1S/C28H29F3N4O2.C25H30F3N3O4.C24H27F6N3O4/c1-18-16-21(4-5-22(18)20-8-11-32-19(2)17-20)26(37)34-12-9-27(10-13-34)24-7-6-23(25(36)28(29,30)31)35(24)15-14-33(27)3;1-16(2)35-19-6-5-18(15-20(19)34-4)23(33)29-11-9-24(10-12-29)21-7-8-22(25(26,27)28)30(21)13-14-31(24)17(3)32;1-31-11-12-33-19(5-6-20(33)23(25,26)27)22(31)7-9-32(10-8-22)21(34)16-3-4-17(18(15-16)35-2)36-13-14-37-24(28,29)30/h4-8,11,16-17H,9-10,12-15H2,1-3H3;5-8,15-16H,9-14H2,1-4H3;3-6,15H,7-14H2,1-2H3
• InChIKey: KHHHDUZVIDTFOI-UHFFFAOYSA-N
• XLogP: 13.79
• TPSA: 178.62 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 13
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1539.57
LogP ≤ 5	13.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]ethanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methyl-4-pyridinyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of 1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]ethanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methyl-4-pyridinyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 159134358) is 1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]ethanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methyl-4-pyridinyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for 1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]ethanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methyl-4-pyridinyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for 1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]ethanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methyl-4-pyridinyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is COc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C(C)=O)ccc1OC(C)C.COc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OCCOC(F)(F)F.Cc1cc(-c2ccc(C(=O)N3CCC4(CC3)c3ccc(C(=O)C(F)(F)F)n3CCN4C)cc2C)ccn1.

What is the InChIKey of 1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]ethanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methyl-4-pyridinyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is KHHHDUZVIDTFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O2.C25H30F3N3O4.C24H27F6N3O4/c1-18-16-21(4-5-22(18)20-8-11-32-19(2)17-20)26(37)34-12-9-27(10-13-34)24-7-6-23(25(36)28(29,30)31)35(24)15-14-33(27)3;1-16(2)35-19-6-5-18(15-20(19)34-4)23(33)29-11-9-24(10-12-29)21-7-8-22(25(26,27)28)30(21)13-14-31(24)17(3)32;1-31-11-12-33-19(5-6-20(33)23(25,26)27)22(31)7-9-32(10-8-22)21(34)16-3-4-17(18(15-16)35-2)36-13-14-37-24(28,29)30/h4-8,11,16-17H,9-10,12-15H2,1-3H3;5-8,15-16H,9-14H2,1-4H3;3-6,15H,7-14H2,1-2H3.

What are the key properties of 1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]ethanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methyl-4-pyridinyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]ethanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methyl-4-pyridinyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1539.57 g/mol, XLogP of 13.79, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]ethanone;[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methyl-4-pyridinyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 159134358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).