2-methyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one

C27H34F3N3O3 — CID 59053909

About 2-methyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one

2-methyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one (PubChem CID 59053909) has the molecular formula C27H34F3N3O3 and a molecular weight of 505.58 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-methyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one
• PubChem CID: 59053909
• Molecular Formula: C27H34F3N3O3
• Molecular Weight: 505.58 g/mol
• Exact Mass: 505.26
• IUPAC Name: 2-methyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(C)C)n2CCN3C)cc1C(F)(F)F
• InChI: InChI=1S/C27H34F3N3O3/c1-17(2)24(34)21-7-9-23-26(31(5)14-15-33(21)23)10-12-32(13-11-26)25(35)19-6-8-22(36-18(3)4)20(16-19)27(28,29)30/h6-9,16-18H,10-15H2,1-5H3
• InChIKey: FAMOSVPSBKHWIX-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 54.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.58
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one?

The IUPAC name of 2-methyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one (CID 59053909) is 2-methyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one.

What is the SMILES notation for 2-methyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one?

The canonical SMILES for 2-methyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(C)C)n2CCN3C)cc1C(F)(F)F.

What is the InChIKey of 2-methyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one?

The InChIKey is FAMOSVPSBKHWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N3O3/c1-17(2)24(34)21-7-9-23-26(31(5)14-15-33(21)23)10-12-32(13-11-26)25(35)19-6-8-22(36-18(3)4)20(16-19)27(28,29)30/h6-9,16-18H,10-15H2,1-5H3.

What are the key properties of 2-methyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one?

2-methyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one has a molecular weight of 505.58 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-[2-methyl-1'-[4-propan-2-yloxy-3-(trifluoromethyl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]propan-1-one is sourced from PubChem (CID 59053909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).