methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate

C13H23N3O3 — CID 112697491

IUPACmethyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate
SMILESCCCCC(C(=O)OC)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C13H23N3O3/c1-3-4-5-11(12(17)19-2)15-6-7-16-10(9-15)8-14-13(16)18/h10-11H,3-9H2,1-2H3,(H,14,18)
InChIKeyQUOAZOFEZQFGTM-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.43
Rot. Bonds5

About methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate

methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate (PubChem CID 112697491) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate.

Molecular Properties

Compound Namemethyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate
PubChem CID112697491
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Namemethyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate
SMILESCCCCC(C(=O)OC)N1CCN2C(=O)NCC2C1
InChIInChI=1S/C13H23N3O3/c1-3-4-5-11(12(17)19-2)15-6-7-16-10(9-15)8-14-13(16)18/h10-11H,3-9H2,1-2H3,(H,14,18)
InChIKeyQUOAZOFEZQFGTM-UHFFFAOYSA-N
XLogP0.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate with MolForge

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Related Compounds

2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
CID 83040994
methyl 3-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)butanoate
CID 79091180
methyl 2-(4-methylpiperazin-1-yl)hexanoate
CID 115608220
methyl 2-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoate
CID 115618301
methyl 2-(3-propan-2-ylpyrrolidin-1-yl)hexanoate
CID 112698247
methyl 2-(3-ethyl-4-methylpiperazin-1-yl)hexanoate
CID 113373633
methyl 2-[3-(diethylamino)pyrrolidin-1-yl]hexanoate
CID 113246249
methyl 2-(4-ethylpiperazin-1-yl)hexanoate
CID 115608216
2-[(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbonyl)amino]hexanoic acid
CID 79095247
methyl 2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)hexanoate
CID 115666836
methyl 2-(1,3-dihydroisoindol-2-yl)hexanoate
CID 113246431
methyl 2-[3-(trifluoromethyl)pyrrolidin-1-yl]hexanoate
CID 113341341

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate?
The IUPAC name of methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate (CID 112697491) is methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate.
What is the SMILES notation for methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate?
The canonical SMILES for methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate is CCCCC(C(=O)OC)N1CCN2C(=O)NCC2C1.
What is the InChIKey of methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate?
The InChIKey is QUOAZOFEZQFGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-4-5-11(12(17)19-2)15-6-7-16-10(9-15)8-14-13(16)18/h10-11H,3-9H2,1-2H3,(H,14,18).
What are the key properties of methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate?
methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate has a molecular weight of 269.34 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)hexanoate is sourced from PubChem (CID 112697491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).