1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one

C17H28N4O — CID 97440495

IUPAC1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one
SMILESCc1cnc2n1CCN(C)C21CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C17H28N4O/c1-13(2)11-15(22)20-7-5-17(6-8-20)16-18-12-14(3)21(16)10-9-19(17)4/h12-13H,5-11H2,1-4H3
InChIKeyZQHOFOSHQGDYEK-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.00
Rot. Bonds2

About 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one

1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one (PubChem CID 97440495) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one
PubChem CID97440495
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one
SMILESCc1cnc2n1CCN(C)C21CCN(C(=O)CC(C)C)CC1
InChIInChI=1S/C17H28N4O/c1-13(2)11-15(22)20-7-5-17(6-8-20)16-18-12-14(3)21(16)10-9-19(17)4/h12-13H,5-11H2,1-4H3
InChIKeyZQHOFOSHQGDYEK-UHFFFAOYSA-N
XLogP2.00
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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)-3-methylbutan-1-one?
The IUPAC name of 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one (CID 97440495) is 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one is Cc1cnc2n1CCN(C)C21CCN(C(=O)CC(C)C)CC1.
What is the InChIKey of 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one?
The InChIKey is ZQHOFOSHQGDYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13(2)11-15(22)20-7-5-17(6-8-20)16-18-12-14(3)21(16)10-9-19(17)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one?
1-(3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one has a molecular weight of 304.44 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 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)-3-methylbutan-1-one is sourced from PubChem (CID 97440495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).