7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C15H20N4O2 — CID 79094685

IUPAC7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNc1cccc(CCC(=O)N2CCN3C(=O)NCC3C2)c1
InChIInChI=1S/C15H20N4O2/c16-12-3-1-2-11(8-12)4-5-14(20)18-6-7-19-13(10-18)9-17-15(19)21/h1-3,8,13H,4-7,9-10,16H2,(H,17,21)
InChIKeyDOLMPHLKNVLXLQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.44
Rot. Bonds3

About 7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79094685) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79094685
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESNc1cccc(CCC(=O)N2CCN3C(=O)NCC3C2)c1
InChIInChI=1S/C15H20N4O2/c16-12-3-1-2-11(8-12)4-5-14(20)18-6-7-19-13(10-18)9-17-15(19)21/h1-3,8,13H,4-7,9-10,16H2,(H,17,21)
InChIKeyDOLMPHLKNVLXLQ-UHFFFAOYSA-N
XLogP0.44
TPSA78.67 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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(4-aminobutanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79091744
3-(3-aminophenyl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43309005
3-(3-aminophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66369331
5-oxo-5-(3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-7-yl)pentanoic acid
CID 79092252
3-(3-aminophenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 112623821
3-(3-aminophenyl)-1-(1,4-diazepan-1-yl)propan-1-one
CID 115341158
(8aR)-7-(4-methyl-4-phenylpentanoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 97241517
3-(3-aminophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103495477
methyl 1-[3-(3-aminophenyl)propanoyl]piperidine-3-carboxylate
CID 115533094
3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
CID 43309137
3-oxo-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazine-7-carbohydrazide
CID 79094683
7-(2,3-dihydroxybenzoyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 114344503

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79094685) is 7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is Nc1cccc(CCC(=O)N2CCN3C(=O)NCC3C2)c1.
What is the InChIKey of 7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is DOLMPHLKNVLXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c16-12-3-1-2-11(8-12)4-5-14(20)18-6-7-19-13(10-18)9-17-15(19)21/h1-3,8,13H,4-7,9-10,16H2,(H,17,21).
What are the key properties of 7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 288.35 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-aminophenyl)propanoyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79094685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).