(3-ethoxy-4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(4-methoxyphenyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C99H109F15N12O12 — CID 158469563

About (3-ethoxy-4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(4-methoxyphenyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

(3-ethoxy-4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(4-methoxyphenyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 158469563) has the molecular formula C99H109F15N12O12 and a molecular weight of 1944.00 g/mol. Its IUPAC name is (3-ethoxy-4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(4-methoxyphenyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: (3-ethoxy-4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(4-methoxyphenyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 158469563
• Molecular Formula: C99H109F15N12O12
• Molecular Weight: 1944.00 g/mol
• Exact Mass: 1942.80
• IUPAC Name: (3-ethoxy-4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(4-methoxyphenyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(OC(C)C)c(C(F)(F)F)c2)CC1.CCOc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OC.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(O)c(C(F)(F)F)c1)CC2.COc1ccc(-c2ccc(C(=O)N3CCC4(CC3)c3ccc(C(=O)C(F)(F)F)n3CCN4C)cc2C)cc1
• InChI: InChI=1S/C29H30F3N3O3.C25H30F3N3O3.C23H28F3N3O3.C22H21F6N3O3/c1-19-18-21(6-9-23(19)20-4-7-22(38-3)8-5-20)27(37)34-14-12-28(13-15-34)25-11-10-24(26(36)29(30,31)32)35(25)17-16-33(28)2;1-16(2)34-21-7-5-18(15-19(21)25(26,27)28)23(33)30-11-9-24(10-12-30)22-8-6-20(17(3)32)31(22)14-13-29(24)4;1-4-32-18-15-16(5-6-17(18)31-3)21(30)28-11-9-22(10-12-28)19-7-8-20(23(24,25)26)29(19)14-13-27(22)2;1-29-10-11-31-15(18(33)22(26,27)28)3-5-17(31)20(29)6-8-30(9-7-20)19(34)13-2-4-16(32)14(12-13)21(23,24)25/h4-11,18H,12-17H2,1-3H3;5-8,15-16H,9-14H2,1-4H3;5-8,15H,4,9-14H2,1-3H3;2-5,12,32H,6-11H2,1H3
• InChIKey: HGEKINSHZBPFPJ-UHFFFAOYSA-N
• XLogP: 17.89
• TPSA: 222.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1944.00
LogP ≤ 5	17.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(4-methoxyphenyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of (3-ethoxy-4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(4-methoxyphenyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 158469563) is (3-ethoxy-4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(4-methoxyphenyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for (3-ethoxy-4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(4-methoxyphenyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for (3-ethoxy-4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(4-methoxyphenyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(OC(C)C)c(C(F)(F)F)c2)CC1.CCOc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OC.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(O)c(C(F)(F)F)c1)CC2.COc1ccc(-c2ccc(C(=O)N3CCC4(CC3)c3ccc(C(=O)C(F)(F)F)n3CCN4C)cc2C)cc1.

What is the InChIKey of (3-ethoxy-4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(4-methoxyphenyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is HGEKINSHZBPFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N3O3.C25H30F3N3O3.C23H28F3N3O3.C22H21F6N3O3/c1-19-18-21(6-9-23(19)20-4-7-22(38-3)8-5-20)27(37)34-14-12-28(13-15-34)25-11-10-24(26(36)29(30,31)32)35(25)17-16-33(28)2;1-16(2)34-21-7-5-18(15-19(21)25(26,27)28)23(33)30-11-9-24(10-12-30)22-8-6-20(17(3)32)31(22)14-13-29(24)4;1-4-32-18-15-16(5-6-17(18)31-3)21(30)28-11-9-22(10-12-28)19-7-8-20(23(24,25)26)29(19)14-13-27(22)2;1-29-10-11-31-15(18(33)22(26,27)28)3-5-17(31)20(29)6-8-30(9-7-20)19(34)13-2-4-16(32)14(12-13)21(23,24)25/h4-11,18H,12-17H2,1-3H3;5-8,15-16H,9-14H2,1-4H3;5-8,15H,4,9-14H2,1-3H3;2-5,12,32H,6-11H2,1H3.

What are the key properties of (3-ethoxy-4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(4-methoxyphenyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

(3-ethoxy-4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(4-methoxyphenyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1944.00 g/mol, XLogP of 17.89, 14 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (3-ethoxy-4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(4-methoxyphenyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 158469563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).