1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;(4-phenoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C77H92F9N9O10 — CID 158045185

About 1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;(4-phenoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;(4-phenoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 158045185) has the molecular formula C77H92F9N9O10 and a molecular weight of 1474.62 g/mol. Its IUPAC name is 1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;(4-phenoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;(4-phenoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 158045185
• Molecular Formula: C77H92F9N9O10
• Molecular Weight: 1474.62 g/mol
• Exact Mass: 1473.68
• IUPAC Name: 1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;(4-phenoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: COc1cc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(=O)C(F)(F)F)ccc23)ccc1OC(C)C.COc1cc(C(=O)N2CCC3(CC2)c2ccc(C(C)=O)n2CCN3C)ccc1COCCC(F)(F)F.O=C(c1ccc(Oc2ccccc2)cc1)N1CCC2(CC1)NCCn1c(C(F)(F)F)ccc12.[H][H].[H][H]
• InChI: InChI=1S/2C26H32F3N3O4.C25H24F3N3O2.2H2/c1-16(2)36-19-8-6-17(14-20(19)35-5)23(34)31-12-10-25(11-13-31)21-9-7-18(22(33)26(27,28)29)32(21)15-24(3,4)30-25;1-18(33)21-6-7-23-25(30(2)13-14-32(21)23)8-11-31(12-9-25)24(34)19-4-5-20(22(16-19)35-3)17-36-15-10-26(27,28)29;26-25(27,28)22-11-10-21-24(29-14-17-31(21)22)12-15-30(16-13-24)23(32)18-6-8-20(9-7-18)33-19-4-2-1-3-5-19;;/h6-9,14,16,30H,10-13,15H2,1-5H3;4-7,16H,8-15,17H2,1-3H3;1-11,29H,12-17H2;2*1H
• InChIKey: FIVANZQYYGJEAD-UHFFFAOYSA-N
• XLogP: 14.31
• TPSA: 183.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1474.62
LogP ≤ 5	14.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;(4-phenoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of 1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;(4-phenoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 158045185) is 1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;(4-phenoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for 1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;(4-phenoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for 1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;(4-phenoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is COc1cc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(=O)C(F)(F)F)ccc23)ccc1OC(C)C.COc1cc(C(=O)N2CCC3(CC2)c2ccc(C(C)=O)n2CCN3C)ccc1COCCC(F)(F)F.O=C(c1ccc(Oc2ccccc2)cc1)N1CCC2(CC1)NCCn1c(C(F)(F)F)ccc12.[H][H].[H][H].

What is the InChIKey of 1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;(4-phenoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is FIVANZQYYGJEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H32F3N3O4.C25H24F3N3O2.2H2/c1-16(2)36-19-8-6-17(14-20(19)35-5)23(34)31-12-10-25(11-13-31)21-9-7-18(22(33)26(27,28)29)32(21)15-24(3,4)30-25;1-18(33)21-6-7-23-25(30(2)13-14-32(21)23)8-11-31(12-9-25)24(34)19-4-5-20(22(16-19)35-3)17-36-15-10-26(27,28)29;26-25(27,28)22-11-10-21-24(29-14-17-31(21)22)12-15-30(16-13-24)23(32)18-6-8-20(9-7-18)33-19-4-2-1-3-5-19;;/h6-9,14,16,30H,10-13,15H2,1-5H3;4-7,16H,8-15,17H2,1-3H3;1-11,29H,12-17H2;2*1H.

What are the key properties of 1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;(4-phenoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;(4-phenoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1474.62 g/mol, XLogP of 14.31, 15 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;(4-phenoxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 158045185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).