N-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide

C14H22N4O2 — CID 174203136

IUPACN-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
SMILESCC(=O)NCC12CC(N3CC4CNCCN4C3=O)(C1)C2
InChIInChI=1S/C14H22N4O2/c1-10(19)16-9-13-6-14(7-13,8-13)18-5-11-4-15-2-3-17(11)12(18)20/h11,15H,2-9H2,1H3,(H,16,19)
InChIKeyMONHJUABIOBCQC-UHFFFAOYSA-N
MW278.36 g/mol
LogP-0.25
Rot. Bonds3

About N-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide

N-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide (PubChem CID 174203136) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
PubChem CID174203136
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
SMILESCC(=O)NCC12CC(N3CC4CNCCN4C3=O)(C1)C2
InChIInChI=1S/C14H22N4O2/c1-10(19)16-9-13-6-14(7-13,8-13)18-5-11-4-15-2-3-17(11)12(18)20/h11,15H,2-9H2,1H3,(H,16,19)
InChIKeyMONHJUABIOBCQC-UHFFFAOYSA-N
XLogP-0.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
The IUPAC name of N-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide (CID 174203136) is N-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide.
What is the SMILES notation for N-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
The canonical SMILES for N-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide is CC(=O)NCC12CC(N3CC4CNCCN4C3=O)(C1)C2.
What is the InChIKey of N-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
The InChIKey is MONHJUABIOBCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(19)16-9-13-6-14(7-13,8-13)18-5-11-4-15-2-3-17(11)12(18)20/h11,15H,2-9H2,1H3,(H,16,19).
What are the key properties of N-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
N-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide has a molecular weight of 278.36 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide is sourced from PubChem (CID 174203136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).