2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide

C16H20N4O3 — CID 97221010

IUPAC2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCN3C(=O)NC(=O)[C@@H]3C2)c1
InChIInChI=1S/C16H20N4O3/c1-10-3-4-11(2)12(7-10)17-14(21)9-19-5-6-20-13(8-19)15(22)18-16(20)23/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,17,21)(H,18,22,23)/t13-/m0/s1
InChIKeyRWYBMOJVJPNZAH-ZDUSSCGKSA-N
MW316.36 g/mol
LogP0.48
Rot. Bonds3

About 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide

2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 97221010) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID97221010
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)CN2CCN3C(=O)NC(=O)[C@@H]3C2)c1
InChIInChI=1S/C16H20N4O3/c1-10-3-4-11(2)12(7-10)17-14(21)9-19-5-6-20-13(8-19)15(22)18-16(20)23/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,17,21)(H,18,22,23)/t13-/m0/s1
InChIKeyRWYBMOJVJPNZAH-ZDUSSCGKSA-N
XLogP0.48
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethylphenyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 51291532
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 62068769
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
2-(4-amino-3-methylpiperidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 79868364
N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196969
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-(2,5-dimethylphenyl)acetamide
CID 126212920
N-(2,5-dimethylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663123
2-[2-(1-aminoethyl)morpholin-4-yl]-N-(2,5-dimethylphenyl)acetamide
CID 81497407
N-(2,5-dimethylphenyl)-2-[4-[(4-methyl-3-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 171335151
N-(2,5-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972182

Frequently Asked Questions

What is the IUPAC name of 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide (CID 97221010) is 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)CN2CCN3C(=O)NC(=O)[C@@H]3C2)c1.
What is the InChIKey of 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is RWYBMOJVJPNZAH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-3-4-11(2)12(7-10)17-14(21)9-19-5-6-20-13(8-19)15(22)18-16(20)23/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,17,21)(H,18,22,23)/t13-/m0/s1.
What are the key properties of 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide?
2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 97221010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).