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

C17H26N4O4 — CID 7161705

IUPAC(8aR)-2-cyclohexyl-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C(N1CCOCC1)N1CCN2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1
InChIInChI=1S/C17H26N4O4/c22-15-14-12-19(16(23)18-8-10-25-11-9-18)6-7-20(14)17(24)21(15)13-4-2-1-3-5-13/h13-14H,1-12H2/t14-/m1/s1
InChIKeyZIFMTVFQAWCZHU-CQSZACIVSA-N
MW350.42 g/mol
LogP0.72
Rot. Bonds1

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

(8aR)-2-cyclohexyl-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 7161705) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is (8aR)-2-cyclohexyl-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name(8aR)-2-cyclohexyl-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID7161705
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name(8aR)-2-cyclohexyl-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C(N1CCOCC1)N1CCN2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1
InChIInChI=1S/C17H26N4O4/c22-15-14-12-19(16(23)18-8-10-25-11-9-18)6-7-20(14)17(24)21(15)13-4-2-1-3-5-13/h13-14H,1-12H2/t14-/m1/s1
InChIKeyZIFMTVFQAWCZHU-CQSZACIVSA-N
XLogP0.72
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.72
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

N,2-dicyclohexyl-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 85006133
(8aR)-2-(3-methoxyphenyl)-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 9419674
2-[4-[2-(4-chlorophenyl)ethyl]piperidin-1-yl]-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 118525696
(8aR)-2-cyclohexyl-N-(3-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 9419667
8-[2-(2-chlorophenyl)acetyl]-2-cyclohexyl-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione
CID 154579301
(6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10082909
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
morpholin-4-yl(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 115667104
1-(morpholine-4-carbonyl)azetidine-3-carboxamide
CID 158069927
2-cyclohexyl-8-(1-ethylpyrazole-4-carbonyl)-6,7,9,9a-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine-1,3-dione
CID 154579329
7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 24735104
(7aS)-2-cyclopropyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 130622288

Frequently Asked Questions

What is the IUPAC name of (8aR)-2-cyclohexyl-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of (8aR)-2-cyclohexyl-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 7161705) is (8aR)-2-cyclohexyl-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for (8aR)-2-cyclohexyl-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for (8aR)-2-cyclohexyl-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is O=C(N1CCOCC1)N1CCN2C(=O)N(C3CCCCC3)C(=O)[C@H]2C1.
What is the InChIKey of (8aR)-2-cyclohexyl-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is ZIFMTVFQAWCZHU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N4O4/c22-15-14-12-19(16(23)18-8-10-25-11-9-18)6-7-20(14)17(24)21(15)13-4-2-1-3-5-13/h13-14H,1-12H2/t14-/m1/s1.
What are the key properties of (8aR)-2-cyclohexyl-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
(8aR)-2-cyclohexyl-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 350.42 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2-cyclohexyl-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 7161705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).