N-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide

C15H20N4O2 — CID 79095358

IUPACN-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide
SMILESCc1ccccc1NC(=O)CN1CC2CNCCN2C1=O
InChIInChI=1S/C15H20N4O2/c1-11-4-2-3-5-13(11)17-14(20)10-18-9-12-8-16-6-7-19(12)15(18)21/h2-5,12,16H,6-10H2,1H3,(H,17,20)
InChIKeyIEGHJTFLYYVERN-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.64
Rot. Bonds3

About N-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide

N-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide (PubChem CID 79095358) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide
PubChem CID79095358
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide
SMILESCc1ccccc1NC(=O)CN1CC2CNCCN2C1=O
InChIInChI=1S/C15H20N4O2/c1-11-4-2-3-5-13(11)17-14(20)10-18-9-12-8-16-6-7-19(12)15(18)21/h2-5,12,16H,6-10H2,1H3,(H,17,20)
InChIKeyIEGHJTFLYYVERN-UHFFFAOYSA-N
XLogP0.64
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704678
N-(2-methylbutan-2-yl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide
CID 79092225
ethane;N-(2-methylphenyl)-2-piperazin-1-ylacetamide
CID 142082017
2-(5-amino-2-oxopiperidin-1-yl)-N-(2-methylphenyl)acetamide
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2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 120870657
N-(2-methylphenyl)-2-(3-oxopiperazin-1-yl)acetamide
CID 8962959
2-(2,3-dihydroindol-1-yl)-N-(2-methylphenyl)acetamide
CID 22199881
2-[2-(2-methoxyphenoxy)ethyl]-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79095390
2-[2-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 91546597
N-(2-methylphenyl)-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 851505
N-(2-methylphenyl)-2-(4-oxopiperidin-1-yl)acetamide
CID 24693967
2-pentyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091777

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide?
The IUPAC name of N-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide (CID 79095358) is N-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide is Cc1ccccc1NC(=O)CN1CC2CNCCN2C1=O.
What is the InChIKey of N-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide?
The InChIKey is IEGHJTFLYYVERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-4-2-3-5-13(11)17-14(20)10-18-9-12-8-16-6-7-19(12)15(18)21/h2-5,12,16H,6-10H2,1H3,(H,17,20).
What are the key properties of N-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide?
N-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)acetamide is sourced from PubChem (CID 79095358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).