1-[1'-(4-tert-butylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-chloro-4-propan-2-yloxyphenyl)-[2-methyl-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N,2-dimethyl-4-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;2,2,2-trifluoro-1-[(3S)-1'-(4-methoxy-3-methylbenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C96H114ClF14N13O10S — CID 157171848

About 1-[1'-(4-tert-butylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-chloro-4-propan-2-yloxyphenyl)-[2-methyl-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N,2-dimethyl-4-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;2,2,2-trifluoro-1-[(3S)-1'-(4-methoxy-3-methylbenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

1-[1'-(4-tert-butylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-chloro-4-propan-2-yloxyphenyl)-[2-methyl-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N,2-dimethyl-4-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;2,2,2-trifluoro-1-[(3S)-1'-(4-methoxy-3-methylbenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 157171848) has the molecular formula C96H114ClF14N13O10S and a molecular weight of 1943.54 g/mol. Its IUPAC name is 1-[1'-(4-tert-butylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-chloro-4-propan-2-yloxyphenyl)-[2-methyl-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N,2-dimethyl-4-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;2,2,2-trifluoro-1-[(3S)-1'-(4-methoxy-3-methylbenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1'-(4-tert-butylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-chloro-4-propan-2-yloxyphenyl)-[2-methyl-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N,2-dimethyl-4-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;2,2,2-trifluoro-1-[(3S)-1'-(4-methoxy-3-methylbenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 157171848
• Molecular Formula: C96H114ClF14N13O10S
• Molecular Weight: 1943.54 g/mol
• Exact Mass: 1941.80
• IUPAC Name: 1-[1'-(4-tert-butylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-chloro-4-propan-2-yloxyphenyl)-[2-methyl-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N,2-dimethyl-4-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;2,2,2-trifluoro-1-[(3S)-1'-(4-methoxy-3-methylbenzoyl)-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(CC(F)(F)F)n2CCN3C)cc1Cl.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(C(C)(C)C)cc1)CC2.CNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)C(F)(F)F)n2CCN3C)cc1C.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C[C@H](C)N3C)cc1C
• InChI: InChI=1S/C25H30F3N3O2.C24H29ClF3N3O2.C24H28F3N3O3.C23H27F5N4O3S/c1-23(2,3)18-7-5-17(6-8-18)22(33)30-13-11-24(12-14-30)20-10-9-19(21(32)25(26,27)28)31(20)16-15-29(24)4;1-16(2)33-20-6-4-17(14-19(20)25)22(32)30-10-8-23(9-11-30)21-7-5-18(15-24(26,27)28)31(21)13-12-29(23)3;1-15-13-17(5-7-19(15)33-4)22(32)29-11-9-23(10-12-29)20-8-6-18(21(31)24(25,26)27)30(20)14-16(2)28(23)3;1-15-14-16(4-5-17(15)36(34,35)29-2)20(33)31-10-8-21(9-11-31)18-6-7-19(22(24,25)23(26,27)28)32(18)13-12-30(21)3/h5-10H,11-16H2,1-4H3;4-7,14,16H,8-13,15H2,1-3H3;5-8,13,16H,9-12,14H2,1-4H3;4-7,14,29H,8-13H2,1-3H3/t;;16-;/m..0./s1
• InChIKey: ANOCXYUSVYKWNX-UPVXFDEVSA-N
• XLogP: 17.17
• TPSA: 212.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1943.54
LogP ≤ 5	17.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(4-tert-butylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-chloro-4-propan-2-yloxyphenyl)-[2-methyl-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N,2-dimethyl-4-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;2,2,2-trifluoro-1-[(3S)-1'-(4-methoxy-3-methylbenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of 1-[1'-(4-tert-butylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-chloro-4-propan-2-yloxyphenyl)-[2-methyl-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N,2-dimethyl-4-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;2,2,2-trifluoro-1-[(3S)-1'-(4-methoxy-3-methylbenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 157171848) is 1-[1'-(4-tert-butylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-chloro-4-propan-2-yloxyphenyl)-[2-methyl-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N,2-dimethyl-4-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;2,2,2-trifluoro-1-[(3S)-1'-(4-methoxy-3-methylbenzoyl)-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-tert-butylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-chloro-4-propan-2-yloxyphenyl)-[2-methyl-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N,2-dimethyl-4-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;2,2,2-trifluoro-1-[(3S)-1'-(4-methoxy-3-methylbenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for 1-[1'-(4-tert-butylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-chloro-4-propan-2-yloxyphenyl)-[2-methyl-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N,2-dimethyl-4-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;2,2,2-trifluoro-1-[(3S)-1'-(4-methoxy-3-methylbenzoyl)-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(CC(F)(F)F)n2CCN3C)cc1Cl.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(C(C)(C)C)cc1)CC2.CNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)C(F)(F)F)n2CCN3C)cc1C.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C[C@H](C)N3C)cc1C.

What is the InChIKey of 1-[1'-(4-tert-butylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-chloro-4-propan-2-yloxyphenyl)-[2-methyl-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N,2-dimethyl-4-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;2,2,2-trifluoro-1-[(3S)-1'-(4-methoxy-3-methylbenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is ANOCXYUSVYKWNX-UPVXFDEVSA-N. The full InChI is InChI=1S/C25H30F3N3O2.C24H29ClF3N3O2.C24H28F3N3O3.C23H27F5N4O3S/c1-23(2,3)18-7-5-17(6-8-18)22(33)30-13-11-24(12-14-30)20-10-9-19(21(32)25(26,27)28)31(20)16-15-29(24)4;1-16(2)33-20-6-4-17(14-19(20)25)22(32)30-10-8-23(9-11-30)21-7-5-18(15-24(26,27)28)31(21)13-12-29(23)3;1-15-13-17(5-7-19(15)33-4)22(32)29-11-9-23(10-12-29)20-8-6-18(21(31)24(25,26)27)30(20)14-16(2)28(23)3;1-15-14-16(4-5-17(15)36(34,35)29-2)20(33)31-10-8-21(9-11-31)18-6-7-19(22(24,25)23(26,27)28)32(18)13-12-30(21)3/h5-10H,11-16H2,1-4H3;4-7,14,16H,8-13,15H2,1-3H3;5-8,13,16H,9-12,14H2,1-4H3;4-7,14,29H,8-13H2,1-3H3/t;;16-;/m..0./s1.

What are the key properties of 1-[1'-(4-tert-butylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-chloro-4-propan-2-yloxyphenyl)-[2-methyl-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N,2-dimethyl-4-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;2,2,2-trifluoro-1-[(3S)-1'-(4-methoxy-3-methylbenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

1-[1'-(4-tert-butylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-chloro-4-propan-2-yloxyphenyl)-[2-methyl-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N,2-dimethyl-4-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;2,2,2-trifluoro-1-[(3S)-1'-(4-methoxy-3-methylbenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1943.54 g/mol, XLogP of 17.17, 13 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-(4-tert-butylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3-chloro-4-propan-2-yloxyphenyl)-[2-methyl-6-(2,2,2-trifluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N,2-dimethyl-4-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;2,2,2-trifluoro-1-[(3S)-1'-(4-methoxy-3-methylbenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 157171848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).