1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C103H124F14N12O11 — CID 161083494

About 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 161083494) has the molecular formula C103H124F14N12O11 and a molecular weight of 1972.17 g/mol. Its IUPAC name is 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 161083494
• Molecular Formula: C103H124F14N12O11
• Molecular Weight: 1972.17 g/mol
• Exact Mass: 1970.93
• IUPAC Name: 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C[C@@H](C)N3C)c(F)c1.CC1(C)Cn2c(C(=O)C(F)(F)F)ccc2C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)N1.COc1ccc(C(=O)N2CCC3(CC2)c2cc(C(=O)C(F)(F)F)cn2C(C)(C)CN3C)c(F)c1.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(C)(C)C)n2CCN3C)cc1C(F)(F)F.[H][H]
• InChI: InChI=1S/C28H34F3N3O2.C26H32F3N3O3.C25H29F4N3O3.C24H27F4N3O3.H2/c1-26(2)18-34-22(24(35)28(29,30)31)12-13-23(34)27(32-26)14-16-33(17-15-27)25(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19;1-24(2,3)22(33)19-7-9-21-25(30(4)14-15-32(19)21)10-12-31(13-11-25)23(34)17-6-8-20(35-5)18(16-17)26(27,28)29;1-15(2)35-17-5-6-18(19(26)13-17)23(34)31-11-9-24(10-12-31)21-8-7-20(22(33)25(27,28)29)32(21)14-16(3)30(24)4;1-22(2)14-29(3)23(19-11-15(13-31(19)22)20(32)24(26,27)28)7-9-30(10-8-23)21(33)17-6-5-16(34-4)12-18(17)25;/h8-13,19,32H,3-7,14-18H2,1-2H3;6-9,16H,10-15H2,1-5H3;5-8,13,15-16H,9-12,14H2,1-4H3;5-6,11-13H,7-10,14H2,1-4H3;1H/t;;16-;;/m..1../s1
• InChIKey: UGFCIHXRGCMDCI-DCLDFRDVSA-N
• XLogP: 19.68
• TPSA: 218.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1972.17
LogP ≤ 5	19.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 161083494) is 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C[C@@H](C)N3C)c(F)c1.CC1(C)Cn2c(C(=O)C(F)(F)F)ccc2C2(CCN(C(=O)c3ccc(C4CCCCC4)cc3)CC2)N1.COc1ccc(C(=O)N2CCC3(CC2)c2cc(C(=O)C(F)(F)F)cn2C(C)(C)CN3C)c(F)c1.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(C)(C)C)n2CCN3C)cc1C(F)(F)F.[H][H].

What is the InChIKey of 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is UGFCIHXRGCMDCI-DCLDFRDVSA-N. The full InChI is InChI=1S/C28H34F3N3O2.C26H32F3N3O3.C25H29F4N3O3.C24H27F4N3O3.H2/c1-26(2)18-34-22(24(35)28(29,30)31)12-13-23(34)27(32-26)14-16-33(17-15-27)25(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19;1-24(2,3)22(33)19-7-9-21-25(30(4)14-15-32(19)21)10-12-31(13-11-25)23(34)17-6-8-20(35-5)18(16-17)26(27,28)29;1-15(2)35-17-5-6-18(19(26)13-17)23(34)31-11-9-24(10-12-31)21-8-7-20(22(33)25(27,28)29)32(21)14-16(3)30(24)4;1-22(2)14-29(3)23(19-11-15(13-31(19)22)20(32)24(26,27)28)7-9-30(10-8-23)21(33)17-6-5-16(34-4)12-18(17)25;/h8-13,19,32H,3-7,14-18H2,1-2H3;6-9,16H,10-15H2,1-5H3;5-8,13,15-16H,9-12,14H2,1-4H3;5-6,11-13H,7-10,14H2,1-4H3;1H/t;;16-;;/m..1../s1.

What are the key properties of 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1972.17 g/mol, XLogP of 19.68, 13 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 161083494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).