(8aS)-7-(1-methylpiperidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C12H22N4O — CID 75368548

IUPAC(8aS)-7-(1-methylpiperidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCN1CCC(N2CCN3C(=O)NC[C@H]3C2)CC1
InChIInChI=1S/C12H22N4O/c1-14-4-2-10(3-5-14)15-6-7-16-11(9-15)8-13-12(16)17/h10-11H,2-9H2,1H3,(H,13,17)/t11-/m0/s1
InChIKeyARFGFHZUTOUQPO-NSHDSACASA-N
MW238.33 g/mol
LogP-0.21
Rot. Bonds1

About (8aS)-7-(1-methylpiperidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

(8aS)-7-(1-methylpiperidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 75368548) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is (8aS)-7-(1-methylpiperidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aS)-7-(1-methylpiperidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID75368548
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name(8aS)-7-(1-methylpiperidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCN1CCC(N2CCN3C(=O)NC[C@H]3C2)CC1
InChIInChI=1S/C12H22N4O/c1-14-4-2-10(3-5-14)15-6-7-16-11(9-15)8-13-12(16)17/h10-11H,2-9H2,1H3,(H,13,17)/t11-/m0/s1
InChIKeyARFGFHZUTOUQPO-NSHDSACASA-N
XLogP-0.21
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8aS)-7-(1-methylpiperidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aS)-7-(1-methylpiperidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 75368548) is (8aS)-7-(1-methylpiperidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aS)-7-(1-methylpiperidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aS)-7-(1-methylpiperidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CN1CCC(N2CCN3C(=O)NC[C@H]3C2)CC1.
What is the InChIKey of (8aS)-7-(1-methylpiperidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is ARFGFHZUTOUQPO-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N4O/c1-14-4-2-10(3-5-14)15-6-7-16-11(9-15)8-13-12(16)17/h10-11H,2-9H2,1H3,(H,13,17)/t11-/m0/s1.
What are the key properties of (8aS)-7-(1-methylpiperidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
(8aS)-7-(1-methylpiperidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 238.33 g/mol, XLogP of -0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-7-(1-methylpiperidin-4-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75368548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).