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

C18H25F3N4O6 — CID 155828367

IUPAC1'-(2-methoxyacetyl)-N,N-dimethylspiro[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)N(C)C)Cn1ccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N4O4.C2HF3O2/c1-18(2)14(22)12-10-20-9-6-17-15(20)16(24-12)4-7-19(8-5-16)13(21)11-23-3;3-2(4,5)1(6)7/h6,9,12H,4-5,7-8,10-11H2,1-3H3;(H,6,7)
InChIKeyWEKQIGQWXYHRBO-UHFFFAOYSA-N
MW450.41 g/mol
LogP0.47
Rot. Bonds3

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

1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155828367) has the molecular formula C18H25F3N4O6 and a molecular weight of 450.41 g/mol. Its IUPAC name is 1'-(2-methoxyacetyl)-N,N-dimethylspiro[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,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID155828367
Molecular FormulaC18H25F3N4O6
Molecular Weight450.41 g/mol
Exact Mass450.17
IUPAC Name1'-(2-methoxyacetyl)-N,N-dimethylspiro[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)N(C)C)Cn1ccnc12.O=C(O)C(F)(F)F
InChIInChI=1S/C16H24N4O4.C2HF3O2/c1-18(2)14(22)12-10-20-9-6-17-15(20)16(24-12)4-7-19(8-5-16)13(21)11-23-3;3-2(4,5)1(6)7/h6,9,12H,4-5,7-8,10-11H2,1-3H3;(H,6,7)
InChIKeyWEKQIGQWXYHRBO-UHFFFAOYSA-N
XLogP0.47
TPSA114.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.41
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-methoxyacetyl)-N,N-dimethylspiro[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,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid (CID 155828367) is 1'-(2-methoxyacetyl)-N,N-dimethylspiro[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,N-dimethylspiro[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,N-dimethylspiro[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)N(C)C)Cn1ccnc12.O=C(O)C(F)(F)F.
What is the InChIKey of 1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is WEKQIGQWXYHRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O4.C2HF3O2/c1-18(2)14(22)12-10-20-9-6-17-15(20)16(24-12)4-7-19(8-5-16)13(21)11-23-3;3-2(4,5)1(6)7/h6,9,12H,4-5,7-8,10-11H2,1-3H3;(H,6,7).
What are the key properties of 1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid?
1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 450.41 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-methoxyacetyl)-N,N-dimethylspiro[5,6-dihydroimidazo[2,1-c][1,4]oxazine-8,4'-piperidine]-6-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155828367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).