[3-ethoxy-4-(hydroxymethyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(4-piperidin-1-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C97H121F12N15O8 — CID 159113212

About [3-ethoxy-4-(hydroxymethyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(4-piperidin-1-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

[3-ethoxy-4-(hydroxymethyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(4-piperidin-1-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 159113212) has the molecular formula C97H121F12N15O8 and a molecular weight of 1853.11 g/mol. Its IUPAC name is [3-ethoxy-4-(hydroxymethyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(4-piperidin-1-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: [3-ethoxy-4-(hydroxymethyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(4-piperidin-1-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 159113212
• Molecular Formula: C97H121F12N15O8
• Molecular Weight: 1853.11 g/mol
• Exact Mass: 1851.93
• IUPAC Name: [3-ethoxy-4-(hydroxymethyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(4-piperidin-1-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CCOc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1CO.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(N3CCCCC3)cc1)CC2.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccnc(N3CCCCC3)c1)CC2.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OC(C)C.[H][H]
• InChI: InChI=1S/C26H31F3N4O2.C24H30F3N5O.C24H30F3N3O2.C23H28F3N3O3.H2/c1-30-17-18-33-21(23(34)26(27,28)29)9-10-22(33)25(30)11-15-32(16-12-25)24(35)19-5-7-20(8-6-19)31-13-3-2-4-14-31;1-29-15-16-32-19(5-6-20(32)24(25,26)27)23(29)8-13-31(14-9-23)22(33)18-7-10-28-21(17-18)30-11-3-2-4-12-30;1-16(2)32-19-6-5-18(15-17(19)3)22(31)29-11-9-23(10-12-29)20-7-8-21(24(25,26)27)30(20)14-13-28(23)4;1-3-32-18-14-16(4-5-17(18)15-30)21(31)28-10-8-22(9-11-28)19-6-7-20(23(24,25)26)29(19)13-12-27(22)2;/h5-10H,2-4,11-18H2,1H3;5-7,10,17H,2-4,8-9,11-16H2,1H3;5-8,15-16H,9-14H2,1-4H3;4-7,14,30H,3,8-13,15H2,1-2H3;1H
• InChIKey: KETIWFODIZKNAL-UHFFFAOYSA-N
• XLogP: 16.67
• TPSA: 189.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1853.11
LogP ≤ 5	16.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-4-(hydroxymethyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(4-piperidin-1-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of [3-ethoxy-4-(hydroxymethyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(4-piperidin-1-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 159113212) is [3-ethoxy-4-(hydroxymethyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(4-piperidin-1-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for [3-ethoxy-4-(hydroxymethyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(4-piperidin-1-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for [3-ethoxy-4-(hydroxymethyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(4-piperidin-1-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CCOc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1CO.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(N3CCCCC3)cc1)CC2.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccnc(N3CCCCC3)c1)CC2.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OC(C)C.[H][H].

What is the InChIKey of [3-ethoxy-4-(hydroxymethyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(4-piperidin-1-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is KETIWFODIZKNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F3N4O2.C24H30F3N5O.C24H30F3N3O2.C23H28F3N3O3.H2/c1-30-17-18-33-21(23(34)26(27,28)29)9-10-22(33)25(30)11-15-32(16-12-25)24(35)19-5-7-20(8-6-19)31-13-3-2-4-14-31;1-29-15-16-32-19(5-6-20(32)24(25,26)27)23(29)8-13-31(14-9-23)22(33)18-7-10-28-21(17-18)30-11-3-2-4-12-30;1-16(2)32-19-6-5-18(15-17(19)3)22(31)29-11-9-23(10-12-29)20-7-8-21(24(25,26)27)30(20)14-13-28(23)4;1-3-32-18-14-16(4-5-17(18)15-30)21(31)28-10-8-22(9-11-28)19-6-7-20(23(24,25)26)29(19)13-12-27(22)2;/h5-10H,2-4,11-18H2,1H3;5-7,10,17H,2-4,8-9,11-16H2,1H3;5-8,15-16H,9-14H2,1-4H3;4-7,14,30H,3,8-13,15H2,1-2H3;1H.

What are the key properties of [3-ethoxy-4-(hydroxymethyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(4-piperidin-1-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

[3-ethoxy-4-(hydroxymethyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(4-piperidin-1-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1853.11 g/mol, XLogP of 16.67, 12 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [3-ethoxy-4-(hydroxymethyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methyl-4-propan-2-yloxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-piperidin-1-yl-4-pyridinyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(4-piperidin-1-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 159113212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).