2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid

C20H27F3N4O6 — CID 155850147

About 2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid

2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 155850147) has the molecular formula C20H27F3N4O6 and a molecular weight of 476.45 g/mol. Its IUPAC name is 2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155850147
• Molecular Formula: C20H27F3N4O6
• Molecular Weight: 476.45 g/mol
• Exact Mass: 476.19
• IUPAC Name: 2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid
• SMILES: COCC(=O)N1CCC2(CC1)OC(C(=O)N1CCCC1)Cn1ccnc12.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H26N4O4.C2HF3O2/c1-25-13-15(23)20-9-4-18(5-10-20)17-19-6-11-22(17)12-14(26-18)16(24)21-7-2-3-8-21;3-2(4,5)1(6)7/h6,11,14H,2-5,7-10,12-13H2,1H3;(H,6,7)
• InChIKey: JFDKUFPWFZDMAP-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 114.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.45
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid (CID 155850147) is 2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid is COCC(=O)N1CCC2(CC1)OC(C(=O)N1CCCC1)Cn1ccnc12.O=C(O)C(F)(F)F.

What is the InChIKey of 2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid?

The InChIKey is JFDKUFPWFZDMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4.C2HF3O2/c1-25-13-15(23)20-9-4-18(5-10-20)17-19-6-11-22(17)12-14(26-18)16(24)21-7-2-3-8-21;3-2(4,5)1(6)7/h6,11,14H,2-5,7-10,12-13H2,1H3;(H,6,7).

What are the key properties of 2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid?

2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 476.45 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-1-[6-(pyrrolidine-1-carbonyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-1'-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155850147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).