2,2-dimethyl-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C75H92F9N9O9 — CID 158683333

About 2,2-dimethyl-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

2,2-dimethyl-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 158683333) has the molecular formula C75H92F9N9O9 and a molecular weight of 1434.60 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: 2,2-dimethyl-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 158683333
• Molecular Formula: C75H92F9N9O9
• Molecular Weight: 1434.60 g/mol
• Exact Mass: 1433.69
• IUPAC Name: 2,2-dimethyl-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC(C)CCOc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(C)(C)C)n2CCN3C)cc1.COCCN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccccc1OC(F)(F)F)CC2.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1C
• InChI: InChI=1S/C29H41N3O3.C23H25F6N3O3.C23H26F3N3O3/c1-21(2)13-20-35-23-9-7-22(8-10-23)27(34)31-16-14-29(15-17-31)25-12-11-24(26(33)28(3,4)5)32(25)19-18-30(29)6;1-34-15-14-31-12-13-32-18(6-7-19(32)22(24,25)26)21(31)8-10-30(11-9-21)20(33)16-4-2-3-5-17(16)35-23(27,28)29;1-15-14-16(4-6-18(15)32-3)21(31)28-10-8-22(9-11-28)19-7-5-17(20(30)23(24,25)26)29(19)13-12-27(22)2/h7-12,21H,13-20H2,1-6H3;2-7H,8-15H2,1H3;4-7,14H,8-13H2,1-3H3
• InChIKey: IFKMNHAGLDTFRM-UHFFFAOYSA-N
• XLogP: 13.34
• TPSA: 156.50 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1434.60
LogP ≤ 5	13.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

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

The IUPAC name of 2,2-dimethyl-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 158683333) is 2,2-dimethyl-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

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

The canonical SMILES for 2,2-dimethyl-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(C)CCOc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(C)(C)C)n2CCN3C)cc1.COCCN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccccc1OC(F)(F)F)CC2.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1C.

What is the InChIKey of 2,2-dimethyl-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is IFKMNHAGLDTFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O3.C23H25F6N3O3.C23H26F3N3O3/c1-21(2)13-20-35-23-9-7-22(8-10-23)27(34)31-16-14-29(15-17-31)25-12-11-24(26(33)28(3,4)5)32(25)19-18-30(29)6;1-34-15-14-31-12-13-32-18(6-7-19(32)22(24,25)26)21(31)8-10-30(11-9-21)20(33)16-4-2-3-5-17(16)35-23(27,28)29;1-15-14-16(4-6-18(15)32-3)21(31)28-10-8-22(9-11-28)19-7-5-17(20(30)23(24,25)26)29(19)13-12-27(22)2/h7-12,21H,13-20H2,1-6H3;2-7H,8-15H2,1H3;4-7,14H,8-13H2,1-3H3.

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

2,2-dimethyl-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1434.60 g/mol, XLogP of 13.34, 14 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;[2-(2-methoxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 158683333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).