7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

C20H25N3O4 — CID 24735104

IUPAC7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C1C2CN(Cc3ccc4c(c3)OCO4)CCN2C(=O)N1C1CCCCC1
InChIInChI=1S/C20H25N3O4/c24-19-16-12-21(11-14-6-7-17-18(10-14)27-13-26-17)8-9-22(16)20(25)23(19)15-4-2-1-3-5-15/h6-7,10,15-16H,1-5,8-9,11-13H2
InChIKeyLYOGRGUNKHBKHX-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.20
Rot. Bonds3

About 7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione

7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (PubChem CID 24735104) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
PubChem CID24735104
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
SMILESO=C1C2CN(Cc3ccc4c(c3)OCO4)CCN2C(=O)N1C1CCCCC1
InChIInChI=1S/C20H25N3O4/c24-19-16-12-21(11-14-6-7-17-18(10-14)27-13-26-17)8-9-22(16)20(25)23(19)15-4-2-1-3-5-15/h6-7,10,15-16H,1-5,8-9,11-13H2
InChIKeyLYOGRGUNKHBKHX-UHFFFAOYSA-N
XLogP2.20
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(8aR)-2-cyclohexyl-7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537134
2-(1,3-benzodioxol-5-ylmethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79915330
3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-cyclopropylpyrrolidine-2,5-dione
CID 42929925
methyl 3-[7-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-2-yl]benzoate
CID 24735090
1-(1,3-benzodioxol-5-ylmethyl)azepane
CID 765340
(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]oxolan-2-one
CID 30736250
(3R)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-cyclohexylpiperidine-1-carboxamide
CID 29149493
1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxypiperazine
CID 130380752
1-(1,3-benzodioxol-5-ylmethyl)piperidine-4-carbaldehyde
CID 62655732
trans-(1R,2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]cyclohexan-1-ol
CID 15925791
[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methanamine
CID 22115337
(2S,3aS,7aR)-5-(1,3-benzodioxol-5-ylmethyl)-2-methyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 97388831

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The IUPAC name of 7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione (CID 24735104) is 7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione.
What is the SMILES notation for 7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The canonical SMILES for 7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is O=C1C2CN(Cc3ccc4c(c3)OCO4)CCN2C(=O)N1C1CCCCC1.
What is the InChIKey of 7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
The InChIKey is LYOGRGUNKHBKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c24-19-16-12-21(11-14-6-7-17-18(10-14)27-13-26-17)8-9-22(16)20(25)23(19)15-4-2-1-3-5-15/h6-7,10,15-16H,1-5,8-9,11-13H2.
What are the key properties of 7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione?
7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione has a molecular weight of 371.44 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-ylmethyl)-2-cyclohexyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione is sourced from PubChem (CID 24735104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).