1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid

C16H23F3N4O3 — CID 155857964

IUPAC1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCC2(CC1)c1ncc(C)n1CCN2C.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4O.C2HF3O2/c1-11-10-15-13-14(16(3)8-9-18(11)13)4-6-17(7-5-14)12(2)19;3-2(4,5)1(6)7/h10H,4-9H2,1-3H3;(H,6,7)
InChIKeyVJHHNLWORWLEJN-UHFFFAOYSA-N
MW376.38 g/mol
LogP1.61
Rot. Bonds

About 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid

1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid (PubChem CID 155857964) has the molecular formula C16H23F3N4O3 and a molecular weight of 376.38 g/mol. Its IUPAC name is 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
PubChem CID155857964
Molecular FormulaC16H23F3N4O3
Molecular Weight376.38 g/mol
Exact Mass376.17
IUPAC Name1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid
SMILESCC(=O)N1CCC2(CC1)c1ncc(C)n1CCN2C.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4O.C2HF3O2/c1-11-10-15-13-14(16(3)8-9-18(11)13)4-6-17(7-5-14)12(2)19;3-2(4,5)1(6)7/h10H,4-9H2,1-3H3;(H,6,7)
InChIKeyVJHHNLWORWLEJN-UHFFFAOYSA-N
XLogP1.61
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid (CID 155857964) is 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid is CC(=O)N1CCC2(CC1)c1ncc(C)n1CCN2C.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is VJHHNLWORWLEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O.C2HF3O2/c1-11-10-15-13-14(16(3)8-9-18(11)13)4-6-17(7-5-14)12(2)19;3-2(4,5)1(6)7/h10H,4-9H2,1-3H3;(H,6,7).
What are the key properties of 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid?
1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 376.38 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155857964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).