1'-(2-methoxyacetyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid

C20H29F3N4O6 — CID 155835189

IUPAC1'-(2-methoxyacetyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)N1CCC2(CC1)OC(C(=O)NCC(C)C)Cn1ccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N4O4.C2HF3O2/c1-13(2)10-20-16(24)14-11-22-9-6-19-17(22)18(26-14)4-7-21(8-5-18)15(23)12-25-3;3-2(4,5)1(6)7/h6,9,13-14H,4-5,7-8,10-12H2,1-3H3,(H,20,24);(H,6,7)
InChIKeyMGIPPLCWVSLGBK-UHFFFAOYSA-N
MW478.47 g/mol
LogP1.15
Rot. Bonds5

About 1'-(2-methoxyacetyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid

1'-(2-methoxyacetyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155835189) has the molecular formula C20H29F3N4O6 and a molecular weight of 478.47 g/mol. Its IUPAC name is 1'-(2-methoxyacetyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1'-(2-methoxyacetyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155835189
Molecular FormulaC20H29F3N4O6
Molecular Weight478.47 g/mol
Exact Mass478.20
IUPAC Name1'-(2-methoxyacetyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCC(=O)N1CCC2(CC1)OC(C(=O)NCC(C)C)Cn1ccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N4O4.C2HF3O2/c1-13(2)10-20-16(24)14-11-22-9-6-19-17(22)18(26-14)4-7-21(8-5-18)15(23)12-25-3;3-2(4,5)1(6)7/h6,9,13-14H,4-5,7-8,10-12H2,1-3H3,(H,20,24);(H,6,7)
InChIKeyMGIPPLCWVSLGBK-UHFFFAOYSA-N
XLogP1.15
TPSA122.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-methoxyacetyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1'-(2-methoxyacetyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (CID 155835189) is 1'-(2-methoxyacetyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1'-(2-methoxyacetyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1'-(2-methoxyacetyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is COCC(=O)N1CCC2(CC1)OC(C(=O)NCC(C)C)Cn1ccnc12.O=C(O)C(F)(F)F.
What is the InChIKey of 1'-(2-methoxyacetyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is MGIPPLCWVSLGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4.C2HF3O2/c1-13(2)10-20-16(24)14-11-22-9-6-19-17(22)18(26-14)4-7-21(8-5-18)15(23)12-25-3;3-2(4,5)1(6)7/h6,9,13-14H,4-5,7-8,10-12H2,1-3H3,(H,20,24);(H,6,7).
What are the key properties of 1'-(2-methoxyacetyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
1'-(2-methoxyacetyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 478.47 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methoxyacetyl)-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155835189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).