(8aR)-7-(morpholine-4-carbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C14H22N4O4 — CID 7161696

IUPAC(8aR)-7-(morpholine-4-carbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCC(C)N1C(=O)[C@H]2CN(C(=O)N3CCOCC3)CCN2C1=O
InChIInChI=1S/C14H22N4O4/c1-10(2)18-12(19)11-9-16(3-4-17(11)14(18)21)13(20)15-5-7-22-8-6-15/h10-11H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyYDLQKJVTJVDENW-LLVKDONJSA-N
MW310.35 g/mol
LogP-0.20
Rot. Bonds1

About (8aR)-7-(morpholine-4-carbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

(8aR)-7-(morpholine-4-carbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 7161696) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is (8aR)-7-(morpholine-4-carbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name(8aR)-7-(morpholine-4-carbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID7161696
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name(8aR)-7-(morpholine-4-carbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESCC(C)N1C(=O)[C@H]2CN(C(=O)N3CCOCC3)CCN2C1=O
InChIInChI=1S/C14H22N4O4/c1-10(2)18-12(19)11-9-16(3-4-17(11)14(18)21)13(20)15-5-7-22-8-6-15/h10-11H,3-9H2,1-2H3/t11-/m1/s1
InChIKeyYDLQKJVTJVDENW-LLVKDONJSA-N
XLogP-0.20
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

Hydantoin, 1,3-bis(morpholinomethyl)-5,5-dimethyl-
CID 13782
(8aR)-7-(2-methoxyacetyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 7161695
2-[(8aS)-7-(2-methoxyacetyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]acetamide
CID 7682596
Ethyl 2-(1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl)propanoate
CID 75376580
3-(Ethoxymethyl)-1,4,7,10-tetrazatetracyclo[5.5.2.04,13.010,14]tetradecan-2-one
CID 20789441
(8aS)-2-hydroxy-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 118525506
2-hydroxy-5-(morpholine-4-carbonyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazine-1,3-dione
CID 118525507
2-Hydroxy-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 118525508
[7-[(2-Methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate
CID 118525518
(1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyrazin-2-yl) morpholine-4-carboxylate
CID 118525626
2-[7-[(2-Methylpropan-2-yl)oxycarbonyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]morpholine-4-carboxylic acid
CID 129280806
3,5-Dimethyl-1-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
CID 156405628

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-(morpholine-4-carbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of (8aR)-7-(morpholine-4-carbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 7161696) is (8aR)-7-(morpholine-4-carbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for (8aR)-7-(morpholine-4-carbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for (8aR)-7-(morpholine-4-carbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is CC(C)N1C(=O)[C@H]2CN(C(=O)N3CCOCC3)CCN2C1=O.
What is the InChIKey of (8aR)-7-(morpholine-4-carbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is YDLQKJVTJVDENW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-10(2)18-12(19)11-9-16(3-4-17(11)14(18)21)13(20)15-5-7-22-8-6-15/h10-11H,3-9H2,1-2H3/t11-/m1/s1.
What are the key properties of (8aR)-7-(morpholine-4-carbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
(8aR)-7-(morpholine-4-carbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 310.35 g/mol, XLogP of -0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-(morpholine-4-carbonyl)-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 7161696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).