2,2,2-trifluoro-1-[1'-(4-hydroxy-3,5-dimethylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C72H81F12N9O9 — CID 158122540

About 2,2,2-trifluoro-1-[1'-(4-hydroxy-3,5-dimethylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

2,2,2-trifluoro-1-[1'-(4-hydroxy-3,5-dimethylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 158122540) has the molecular formula C72H81F12N9O9 and a molecular weight of 1444.47 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1'-(4-hydroxy-3,5-dimethylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: 2,2,2-trifluoro-1-[1'-(4-hydroxy-3,5-dimethylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 158122540
• Molecular Formula: C72H81F12N9O9
• Molecular Weight: 1444.47 g/mol
• Exact Mass: 1443.60
• IUPAC Name: 2,2,2-trifluoro-1-[1'-(4-hydroxy-3,5-dimethylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: COc1ccc(C(=O)N2CCC3(CC2)c2cc(C(=O)C(F)(F)F)cn2C(C)(C)CN3C)cc1C.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C(C)CN3C)cc1C(F)(F)F.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc(C)c1O
• InChI: InChI=1S/C25H30F3N3O3.C24H25F6N3O3.C23H26F3N3O3/c1-16-12-17(6-7-19(16)34-5)22(33)30-10-8-24(9-11-30)20-13-18(21(32)25(26,27)28)14-31(20)23(2,3)15-29(24)4;1-14-13-31(2)22(19-7-5-17(33(14)19)20(34)24(28,29)30)8-10-32(11-9-22)21(35)15-4-6-18(36-3)16(12-15)23(25,26)27;1-14-12-16(13-15(2)19(14)30)21(32)28-8-6-22(7-9-28)18-5-4-17(20(31)23(24,25)26)29(18)11-10-27(22)3/h6-7,12-14H,8-11,15H2,1-5H3;4-7,12,14H,8-11,13H2,1-3H3;4-5,12-13,30H,6-11H2,1-3H3
• InChIKey: FRTUUKRMKLCGPW-UHFFFAOYSA-N
• XLogP: 12.89
• TPSA: 175.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1444.47
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1'-(4-hydroxy-3,5-dimethylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of 2,2,2-trifluoro-1-[1'-(4-hydroxy-3,5-dimethylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 158122540) is 2,2,2-trifluoro-1-[1'-(4-hydroxy-3,5-dimethylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for 2,2,2-trifluoro-1-[1'-(4-hydroxy-3,5-dimethylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for 2,2,2-trifluoro-1-[1'-(4-hydroxy-3,5-dimethylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is COc1ccc(C(=O)N2CCC3(CC2)c2cc(C(=O)C(F)(F)F)cn2C(C)(C)CN3C)cc1C.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C(C)CN3C)cc1C(F)(F)F.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc(C)c1O.

What is the InChIKey of 2,2,2-trifluoro-1-[1'-(4-hydroxy-3,5-dimethylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is FRTUUKRMKLCGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O3.C24H25F6N3O3.C23H26F3N3O3/c1-16-12-17(6-7-19(16)34-5)22(33)30-10-8-24(9-11-30)20-13-18(21(32)25(26,27)28)14-31(20)23(2,3)15-29(24)4;1-14-13-31(2)22(19-7-5-17(33(14)19)20(34)24(28,29)30)8-10-32(11-9-22)21(35)15-4-6-18(36-3)16(12-15)23(25,26)27;1-14-12-16(13-15(2)19(14)30)21(32)28-8-6-22(7-9-28)18-5-4-17(20(31)23(24,25)26)29(18)11-10-27(22)3/h6-7,12-14H,8-11,15H2,1-5H3;4-7,12,14H,8-11,13H2,1-3H3;4-5,12-13,30H,6-11H2,1-3H3.

What are the key properties of 2,2,2-trifluoro-1-[1'-(4-hydroxy-3,5-dimethylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

2,2,2-trifluoro-1-[1'-(4-hydroxy-3,5-dimethylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1444.47 g/mol, XLogP of 12.89, 8 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,2-trifluoro-1-[1'-(4-hydroxy-3,5-dimethylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-(4-methoxy-3-methylbenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 158122540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).