[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;cyclopropyl-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[2-methyl-1'-(4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1-[2-methyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen

C96H120F6N12O11 — CID 157078830

About [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;cyclopropyl-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[2-methyl-1'-(4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1-[2-methyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen

[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;cyclopropyl-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[2-methyl-1'-(4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1-[2-methyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen (PubChem CID 157078830) has the molecular formula C96H120F6N12O11 and a molecular weight of 1732.08 g/mol. Its IUPAC name is [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;cyclopropyl-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[2-methyl-1'-(4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1-[2-methyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen.

Molecular Properties

• Compound Name: [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;cyclopropyl-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[2-methyl-1'-(4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1-[2-methyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen
• PubChem CID: 157078830
• Molecular Formula: C96H120F6N12O11
• Molecular Weight: 1732.08 g/mol
• Exact Mass: 1730.91
• IUPAC Name: [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;cyclopropyl-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[2-methyl-1'-(4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1-[2-methyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen
• SMILES: CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(C(C)C)cc2)CC1.CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(OCC(F)(F)F)cc2)CC1.CC[C@H](C)Oc1ccc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)cc1OC.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C4CC4)n2CCN3C)cc1C.[H][H]
• InChI: InChI=1S/C25H31N3O3.C24H30F3N3O3.C24H31N3O2.C23H26F3N3O3.H2/c1-17-16-19(6-8-21(17)31-3)24(30)27-12-10-25(11-13-27)22-9-7-20(23(29)18-4-5-18)28(22)15-14-26(25)2;1-4-16(2)33-18-6-5-17(15-19(18)32-3)22(31)29-12-9-23(10-13-29)20-7-8-21(24(25,26)27)30(20)14-11-28-23;1-17(2)19-5-7-20(8-6-19)23(29)26-13-11-24(12-14-26)22-10-9-21(18(3)28)27(22)16-15-25(24)4;1-16(30)19-7-8-20-22(27(2)13-14-29(19)20)9-11-28(12-10-22)21(31)17-3-5-18(6-4-17)32-15-23(24,25)26;/h6-9,16,18H,4-5,10-15H2,1-3H3;5-8,15-16,28H,4,9-14H2,1-3H3;5-10,17H,11-16H2,1-4H3;3-8H,9-15H2,1-2H3;1H/t;16-;;;/m.0.../s1
• InChIKey: ADHFCUAQVNCUOA-GYJLBGKZSA-N
• XLogP: 15.75
• TPSA: 210.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1732.08
LogP ≤ 5	15.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;cyclopropyl-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[2-methyl-1'-(4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1-[2-methyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen?

The IUPAC name of [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;cyclopropyl-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[2-methyl-1'-(4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1-[2-methyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen (CID 157078830) is [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;cyclopropyl-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[2-methyl-1'-(4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1-[2-methyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen.

What is the SMILES notation for [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;cyclopropyl-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[2-methyl-1'-(4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1-[2-methyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen?

The canonical SMILES for [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;cyclopropyl-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[2-methyl-1'-(4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1-[2-methyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen is CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(C(C)C)cc2)CC1.CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(OCC(F)(F)F)cc2)CC1.CC[C@H](C)Oc1ccc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)cc1OC.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C4CC4)n2CCN3C)cc1C.[H][H].

What is the InChIKey of [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;cyclopropyl-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[2-methyl-1'-(4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1-[2-methyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen?

The InChIKey is ADHFCUAQVNCUOA-GYJLBGKZSA-N. The full InChI is InChI=1S/C25H31N3O3.C24H30F3N3O3.C24H31N3O2.C23H26F3N3O3.H2/c1-17-16-19(6-8-21(17)31-3)24(30)27-12-10-25(11-13-27)22-9-7-20(23(29)18-4-5-18)28(22)15-14-26(25)2;1-4-16(2)33-18-6-5-17(15-19(18)32-3)22(31)29-12-9-23(10-13-29)20-7-8-21(24(25,26)27)30(20)14-11-28-23;1-17(2)19-5-7-20(8-6-19)23(29)26-13-11-24(12-14-26)22-10-9-21(18(3)28)27(22)16-15-25(24)4;1-16(30)19-7-8-20-22(27(2)13-14-29(19)20)9-11-28(12-10-22)21(31)17-3-5-18(6-4-17)32-15-23(24,25)26;/h6-9,16,18H,4-5,10-15H2,1-3H3;5-8,15-16,28H,4,9-14H2,1-3H3;5-10,17H,11-16H2,1-4H3;3-8H,9-15H2,1-2H3;1H/t;16-;;;/m.0.../s1.

What are the key properties of [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;cyclopropyl-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[2-methyl-1'-(4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1-[2-methyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen?

[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;cyclopropyl-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[2-methyl-1'-(4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1-[2-methyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen has a molecular weight of 1732.08 g/mol, XLogP of 15.75, 16 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;cyclopropyl-[1'-(4-methoxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[2-methyl-1'-(4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1-[2-methyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen is sourced from PubChem (CID 157078830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).