2,2-dimethyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;(3-ethoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[3-fluoro-4-(3-methoxyprop-1-ynyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen

C98H118F12N12O11 — CID 157256454

About 2,2-dimethyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;(3-ethoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[3-fluoro-4-(3-methoxyprop-1-ynyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen

2,2-dimethyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;(3-ethoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[3-fluoro-4-(3-methoxyprop-1-ynyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen (PubChem CID 157256454) has the molecular formula C98H118F12N12O11 and a molecular weight of 1868.07 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;(3-ethoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[3-fluoro-4-(3-methoxyprop-1-ynyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen.

Molecular Properties

• Compound Name: 2,2-dimethyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;(3-ethoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[3-fluoro-4-(3-methoxyprop-1-ynyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen
• PubChem CID: 157256454
• Molecular Formula: C98H118F12N12O11
• Molecular Weight: 1868.07 g/mol
• Exact Mass: 1866.89
• IUPAC Name: 2,2-dimethyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;(3-ethoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[3-fluoro-4-(3-methoxyprop-1-ynyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(C)(C)C)n2CCN3C)cc1C(F)(F)F.CCOc1cc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)ccc1OC.CN1CCn2c(C(F)(F)F)cc(F)c2C12CCN(C(=O)c1ccc(C(C)(C)O)c(F)c1)CC2.COCC#Cc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(C)=O)n2CCN3C)cc1F.[H][H]
• InChI: InChI=1S/C28H36F3N3O3.C25H28FN3O3.C23H26F5N3O2.C22H26F3N3O3.H2/c1-18(2)37-22-9-7-19(17-20(22)28(29,30)31)25(36)33-13-11-27(12-14-33)23-10-8-21(24(35)26(3,4)5)34(23)16-15-32(27)6;1-18(30)22-8-9-23-25(27(2)14-15-29(22)23)10-12-28(13-11-25)24(31)20-7-6-19(21(26)17-20)5-4-16-32-3;1-21(2,33)15-5-4-14(12-16(15)24)20(32)30-8-6-22(7-9-30)19-17(25)13-18(23(26,27)28)31(19)11-10-29(22)3;1-3-31-17-14-15(4-5-16(17)30-2)20(29)27-11-8-21(9-12-27)18-6-7-19(22(23,24)25)28(18)13-10-26-21;/h7-10,17-18H,11-16H2,1-6H3;6-9,17H,10-16H2,1-3H3;4-5,12-13,33H,6-11H2,1-3H3;4-7,14,26H,3,8-13H2,1-2H3;1H
• InChIKey: AWYHGLVMLDCEPP-UHFFFAOYSA-N
• XLogP: 16.49
• TPSA: 214.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1868.07
LogP ≤ 5	16.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;(3-ethoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[3-fluoro-4-(3-methoxyprop-1-ynyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen?

The IUPAC name of 2,2-dimethyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;(3-ethoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[3-fluoro-4-(3-methoxyprop-1-ynyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen (CID 157256454) is 2,2-dimethyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;(3-ethoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[3-fluoro-4-(3-methoxyprop-1-ynyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen.

What is the SMILES notation for 2,2-dimethyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;(3-ethoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[3-fluoro-4-(3-methoxyprop-1-ynyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen?

The canonical SMILES for 2,2-dimethyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;(3-ethoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[3-fluoro-4-(3-methoxyprop-1-ynyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(C)(C)C)n2CCN3C)cc1C(F)(F)F.CCOc1cc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)ccc1OC.CN1CCn2c(C(F)(F)F)cc(F)c2C12CCN(C(=O)c1ccc(C(C)(C)O)c(F)c1)CC2.COCC#Cc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(C)=O)n2CCN3C)cc1F.[H][H].

What is the InChIKey of 2,2-dimethyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;(3-ethoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[3-fluoro-4-(3-methoxyprop-1-ynyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen?

The InChIKey is AWYHGLVMLDCEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F3N3O3.C25H28FN3O3.C23H26F5N3O2.C22H26F3N3O3.H2/c1-18(2)37-22-9-7-19(17-20(22)28(29,30)31)25(36)33-13-11-27(12-14-33)23-10-8-21(24(35)26(3,4)5)34(23)16-15-32(27)6;1-18(30)22-8-9-23-25(27(2)14-15-29(22)23)10-12-28(13-11-25)24(31)20-7-6-19(21(26)17-20)5-4-16-32-3;1-21(2,33)15-5-4-14(12-16(15)24)20(32)30-8-6-22(7-9-30)19-17(25)13-18(23(26,27)28)31(19)11-10-29(22)3;1-3-31-17-14-15(4-5-16(17)30-2)20(29)27-11-8-21(9-12-27)18-6-7-19(22(23,24)25)28(18)13-10-26-21;/h7-10,17-18H,11-16H2,1-6H3;6-9,17H,10-16H2,1-3H3;4-5,12-13,33H,6-11H2,1-3H3;4-7,14,26H,3,8-13H2,1-2H3;1H.

What are the key properties of 2,2-dimethyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;(3-ethoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[3-fluoro-4-(3-methoxyprop-1-ynyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen?

2,2-dimethyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;(3-ethoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[3-fluoro-4-(3-methoxyprop-1-ynyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen has a molecular weight of 1868.07 g/mol, XLogP of 16.49, 13 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one;(3-ethoxy-4-methoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[3-fluoro-4-(3-methoxyprop-1-ynyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen is sourced from PubChem (CID 157256454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).