(8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

C19H25N3O2 — CID 75537010

IUPAC(8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C(c1ccccc1)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1
InChIInChI=1S/C19H25N3O2/c23-18(15-7-3-1-4-8-15)20-11-12-21-17(13-20)14-22(19(21)24)16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2/t17-/m1/s1
InChIKeyHMEHSYUVWUSLIP-QGZVFWFLSA-N
MW327.43 g/mol
LogP2.58
Rot. Bonds2

About (8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one

(8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 75537010) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
PubChem CID75537010
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
SMILESO=C(c1ccccc1)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1
InChIInChI=1S/C19H25N3O2/c23-18(15-7-3-1-4-8-15)20-11-12-21-17(13-20)14-22(19(21)24)16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2/t17-/m1/s1
InChIKeyHMEHSYUVWUSLIP-QGZVFWFLSA-N
XLogP2.58
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one with MolForge

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Related Compounds

(8aR)-N-benzyl-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 75537021
4-[(8aR)-2-cyclohexyl-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-7-yl]-4-oxobutanoic acid
CID 75537016
(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669
7-benzoyl-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 162841153
(3S,9R)-11-benzoyl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 56856747
(8aR)-7-benzoyl-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75536978
4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)benzoic acid
CID 82856451
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
1-benzoylpiperidine-3-carbonyl chloride
CID 15718173
(3-fluoropiperidin-1-yl)-phenylmethanone
CID 167717341
1-(1-benzoylpiperidin-4-yl)-1,3-diazinan-2-one
CID 134793694

Frequently Asked Questions

What is the IUPAC name of (8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one (CID 75537010) is (8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is O=C(c1ccccc1)N1CCN2C(=O)N(C3CCCCC3)C[C@H]2C1.
What is the InChIKey of (8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is HMEHSYUVWUSLIP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18(15-7-3-1-4-8-15)20-11-12-21-17(13-20)14-22(19(21)24)16-9-5-2-6-10-16/h1,3-4,7-8,16-17H,2,5-6,9-14H2/t17-/m1/s1.
What are the key properties of (8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one?
(8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 327.43 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-7-benzoyl-2-cyclohexyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 75537010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).