1-(2-piperazin-1-ylpurin-9-yl)ethanone

C11H14N6O — CID 67612944

IUPAC1-(2-piperazin-1-ylpurin-9-yl)ethanone
SMILESCC(=O)n1cnc2cnc(N3CCNCC3)nc21
InChIInChI=1S/C11H14N6O/c1-8(18)17-7-14-9-6-13-11(15-10(9)17)16-4-2-12-3-5-16/h6-7,12H,2-5H2,1H3
InChIKeyHFWHGFJIRABRFE-UHFFFAOYSA-N
MW246.27 g/mol
LogP-0.10
Rot. Bonds1

About 1-(2-piperazin-1-ylpurin-9-yl)ethanone

1-(2-piperazin-1-ylpurin-9-yl)ethanone (PubChem CID 67612944) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylpurin-9-yl)ethanone.

Molecular Properties

Compound Name1-(2-piperazin-1-ylpurin-9-yl)ethanone
PubChem CID67612944
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name1-(2-piperazin-1-ylpurin-9-yl)ethanone
SMILESCC(=O)n1cnc2cnc(N3CCNCC3)nc21
InChIInChI=1S/C11H14N6O/c1-8(18)17-7-14-9-6-13-11(15-10(9)17)16-4-2-12-3-5-16/h6-7,12H,2-5H2,1H3
InChIKeyHFWHGFJIRABRFE-UHFFFAOYSA-N
XLogP-0.10
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-piperazin-1-ylpurin-9-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylpurin-9-yl)ethanone?
The IUPAC name of 1-(2-piperazin-1-ylpurin-9-yl)ethanone (CID 67612944) is 1-(2-piperazin-1-ylpurin-9-yl)ethanone.
What is the SMILES notation for 1-(2-piperazin-1-ylpurin-9-yl)ethanone?
The canonical SMILES for 1-(2-piperazin-1-ylpurin-9-yl)ethanone is CC(=O)n1cnc2cnc(N3CCNCC3)nc21.
What is the InChIKey of 1-(2-piperazin-1-ylpurin-9-yl)ethanone?
The InChIKey is HFWHGFJIRABRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-8(18)17-7-14-9-6-13-11(15-10(9)17)16-4-2-12-3-5-16/h6-7,12H,2-5H2,1H3.
What are the key properties of 1-(2-piperazin-1-ylpurin-9-yl)ethanone?
1-(2-piperazin-1-ylpurin-9-yl)ethanone has a molecular weight of 246.27 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylpurin-9-yl)ethanone is sourced from PubChem (CID 67612944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).