[7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate

C18H22N4O6 — CID 118535292

IUPAC[7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate
SMILESO=C(ON1C(=O)C2CN(Cc3ccc(O)cc3)CCN2C1=O)N1CCOCC1
InChIInChI=1S/C18H22N4O6/c23-14-3-1-13(2-4-14)11-19-5-6-21-15(12-19)16(24)22(17(21)25)28-18(26)20-7-9-27-10-8-20/h1-4,15,23H,5-12H2
InChIKeyAWXYHASIKTUSHW-UHFFFAOYSA-N
MW390.40 g/mol
LogP0.22
Rot. Bonds3

About [7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate

[7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate (PubChem CID 118535292) has the molecular formula C18H22N4O6 and a molecular weight of 390.40 g/mol. Its IUPAC name is [7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate
PubChem CID118535292
Molecular FormulaC18H22N4O6
Molecular Weight390.40 g/mol
Exact Mass390.15
IUPAC Name[7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate
SMILESO=C(ON1C(=O)C2CN(Cc3ccc(O)cc3)CCN2C1=O)N1CCOCC1
InChIInChI=1S/C18H22N4O6/c23-14-3-1-13(2-4-14)11-19-5-6-21-15(12-19)16(24)22(17(21)25)28-18(26)20-7-9-27-10-8-20/h1-4,15,23H,5-12H2
InChIKeyAWXYHASIKTUSHW-UHFFFAOYSA-N
XLogP0.22
TPSA102.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
7-[(4-hydroxyphenyl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 82974652
[7-[[1-[1-[(2-methylpropan-2-yl)oxy]ethenyl]piperidin-4-yl]methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] 4-(4-methoxyphenyl)piperazine-1-carboxylate
CID 129303173
(8aS)-7-[(4-bromophenyl)methyl]-2-ethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 95974113
4-[[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]methyl]benzamide
CID 34710306
(1,3-dioxo-7-pyridin-3-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl) 4-benzylpiperidine-1-carboxylate
CID 177183533
tert-butyl 1,3-dioxo-2-[4-(4-prop-2-ynoxyphenyl)piperazine-1-carbonyl]oxy-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate
CID 118525592
(7S,9aR)-7-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56853006
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 55829978
7-benzyl-2-propan-2-yl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione;hydrochloride
CID 24734121
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 4535496
[(3R,5S)-1-[(4-hydroxyphenyl)methyl]-5-(morpholin-4-ylmethyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 56852374

Frequently Asked Questions

What is the IUPAC name of [7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate?
The IUPAC name of [7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate (CID 118535292) is [7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate.
What is the SMILES notation for [7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate?
The canonical SMILES for [7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate is O=C(ON1C(=O)C2CN(Cc3ccc(O)cc3)CCN2C1=O)N1CCOCC1.
What is the InChIKey of [7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate?
The InChIKey is AWXYHASIKTUSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O6/c23-14-3-1-13(2-4-14)11-19-5-6-21-15(12-19)16(24)22(17(21)25)28-18(26)20-7-9-27-10-8-20/h1-4,15,23H,5-12H2.
What are the key properties of [7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate?
[7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate has a molecular weight of 390.40 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(4-hydroxyphenyl)methyl]-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl] morpholine-4-carboxylate is sourced from PubChem (CID 118535292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).