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

C16H25N5O4 — CID 97221018

IUPAC2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1
InChIInChI=1S/C16H25N5O4/c1-10-4-2-3-5-11(10)17-15(24)18-13(22)9-20-6-7-21-12(8-20)14(23)19-16(21)25/h10-12H,2-9H2,1H3,(H,19,23,25)(H2,17,18,22,24)/t10-,11-,12+/m1/s1
InChIKeyCLMMLGXNUPUTCL-UTUOFQBUSA-N
MW351.41 g/mol
LogP-0.37
Rot. Bonds3

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

2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide (PubChem CID 97221018) has the molecular formula C16H25N5O4 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide.

Molecular Properties

Compound Name2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
PubChem CID97221018
Molecular FormulaC16H25N5O4
Molecular Weight351.41 g/mol
Exact Mass351.19
IUPAC Name2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1
InChIInChI=1S/C16H25N5O4/c1-10-4-2-3-5-11(10)17-15(24)18-13(22)9-20-6-7-21-12(8-20)14(23)19-16(21)25/h10-12H,2-9H2,1H3,(H,19,23,25)(H2,17,18,22,24)/t10-,11-,12+/m1/s1
InChIKeyCLMMLGXNUPUTCL-UTUOFQBUSA-N
XLogP-0.37
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylcyclohexyl)carbamoyl]-2-(2-methylmorpholin-4-yl)acetamide
CID 46677252
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CID 46807610
N-[(2-methylcyclohexyl)carbamoyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 17450417
2-[(1R)-2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl]-N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]acetamide
CID 96538170
N-(2-chlorophenyl)-2-[4-[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30626941
N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934942
N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934946
2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 124777937
2-[(1S,6R)-3-ethyl-3,9-diazabicyclo[4.2.1]nonan-9-yl]-N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 97099778
N-[[(1S,2R)-2-methylcyclohexyl]carbamoyl]-2-methylsulfanylacetamide
CID 94157809
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
CID 55353755
N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 11930479

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-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The IUPAC name of 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide (CID 97221018) is 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide.
What is the SMILES notation for 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The canonical SMILES for 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1.
What is the InChIKey of 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
The InChIKey is CLMMLGXNUPUTCL-UTUOFQBUSA-N. The full InChI is InChI=1S/C16H25N5O4/c1-10-4-2-3-5-11(10)17-15(24)18-13(22)9-20-6-7-21-12(8-20)14(23)19-16(21)25/h10-12H,2-9H2,1H3,(H,19,23,25)(H2,17,18,22,24)/t10-,11-,12+/m1/s1.
What are the key properties of 2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide?
2-[(8aS)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-7-yl]-N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 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-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]acetamide is sourced from PubChem (CID 97221018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).