[4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen

C72H99F6N9O8 — CID 159053093

About [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen

[4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen (PubChem CID 159053093) has the molecular formula C72H99F6N9O8 and a molecular weight of 1332.63 g/mol. Its IUPAC name is [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
• PubChem CID: 159053093
• Molecular Formula: C72H99F6N9O8
• Molecular Weight: 1332.63 g/mol
• Exact Mass: 1331.75
• IUPAC Name: [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
• SMILES: CC[C@@H](C)Oc1ccc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)cc1OC.COCCN1CCn2cccc2C12CCN(C(=O)c1ccc(OC(C)C)c(C)c1)CC2.Cc1cc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)ccc1OC(C)C.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C25H35N3O3.C24H30F3N3O3.C23H28F3N3O2.3H2/c1-19(2)31-22-8-7-21(18-20(22)3)24(29)27-12-9-25(10-13-27)23-6-5-11-26(23)14-15-28(25)16-17-30-4;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;1-15(2)31-18-5-4-17(14-16(18)3)21(30)28-11-8-22(9-12-28)19-6-7-20(23(24,25)26)29(19)13-10-27-22;;;/h5-8,11,18-19H,9-10,12-17H2,1-4H3;5-8,15-16,28H,4,9-14H2,1-3H3;4-7,14-15,27H,8-13H2,1-3H3;3*1H/t;16-;;;;/m.1..../s1
• InChIKey: JXNGFKZNYJDPKY-PUEAJZKFSA-N
• XLogP: 13.18
• TPSA: 149.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1332.63
LogP ≤ 5	13.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The IUPAC name of [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen (CID 159053093) is [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen.

What is the SMILES notation for [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The canonical SMILES for [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen is CC[C@@H](C)Oc1ccc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)cc1OC.COCCN1CCn2cccc2C12CCN(C(=O)c1ccc(OC(C)C)c(C)c1)CC2.Cc1cc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)ccc1OC(C)C.[H][H].[H][H].[H][H].

What is the InChIKey of [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The InChIKey is JXNGFKZNYJDPKY-PUEAJZKFSA-N. The full InChI is InChI=1S/C25H35N3O3.C24H30F3N3O3.C23H28F3N3O2.3H2/c1-19(2)31-22-8-7-21(18-20(22)3)24(29)27-12-9-25(10-13-27)23-6-5-11-26(23)14-15-28(25)16-17-30-4;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;1-15(2)31-18-5-4-17(14-16(18)3)21(30)28-11-8-22(9-12-28)19-6-7-20(23(24,25)26)29(19)13-10-27-22;;;/h5-8,11,18-19H,9-10,12-17H2,1-4H3;5-8,15-16,28H,4,9-14H2,1-3H3;4-7,14-15,27H,8-13H2,1-3H3;3*1H/t;16-;;;;/m.1..../s1.

What are the key properties of [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

[4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen has a molecular weight of 1332.63 g/mol, XLogP of 13.18, 14 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-(2-methoxyethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-methyl-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen is sourced from PubChem (CID 159053093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).