7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one

C19H24N6O — CID 142839254

IUPAC7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one
SMILESCCCn1cnc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1=O
InChIInChI=1S/C19H24N6O/c1-2-10-24-14-21-17-16(18(24)26)25(13-15-6-4-3-5-7-15)19(22-17)23-11-8-20-9-12-23/h3-7,14,20H,2,8-13H2,1H3
InChIKeyHGYFIKLPDCKCJF-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.46
Rot. Bonds5

About 7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one

7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one (PubChem CID 142839254) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one.

Molecular Properties

Compound Name7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one
PubChem CID142839254
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one
SMILESCCCn1cnc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1=O
InChIInChI=1S/C19H24N6O/c1-2-10-24-14-21-17-16(18(24)26)25(13-15-6-4-3-5-7-15)19(22-17)23-11-8-20-9-12-23/h3-7,14,20H,2,8-13H2,1H3
InChIKeyHGYFIKLPDCKCJF-UHFFFAOYSA-N
XLogP1.46
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(7-benzyl-6-oxo-8-piperazin-1-ylpurin-1-yl)acetonitrile
CID 23070780
(7-benzyl-6-oxo-8-piperazin-1-yl-1-propylpurin-2-yl) 2,2,2-trifluoroacetate
CID 142670926
3-benzyl-8-(1,4-diazepan-1-yl)-7-[(2-iodophenyl)methyl]-1-propylpurine-2,6-dione
CID 10282141
1-benzyl-4,5,6,7-tetrabromo-2-piperazin-1-ylbenzimidazole
CID 52935608
3-benzyl-7-(2-phenylethyl)-8-piperazin-1-ylpurine-2,6-dione
CID 10113521
2-[3,7-dibenzyl-8-(1,4-diazepan-1-yl)-2,6-dioxopurin-1-yl]-N,N-diethylacetamide
CID 10187286
7-ethyl-1-methyl-2-phenoxy-8-piperazin-1-ylpurin-6-one
CID 70859811
7-but-2-ynyl-2-methoxy-1-(2-phenylethyl)-8-piperazin-1-ylpurin-6-one
CID 23070821
7-but-2-ynyl-1-methyl-2-phenyl-8-piperazin-1-ylpurin-6-one
CID 23070988
7-benzyl-2-chloro-1-ethylpurin-6-one
CID 23403639
4-[(1,3-dimethyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)methyl]benzoic acid
CID 142105313
3-benzyl-8-(1,4-diazepan-1-yl)-7-[(2-iodophenyl)methyl]purine-2,6-dione;7-benzyl-3-methyl-8-piperazin-1-yl-1-propylpurine-2,6-dione
CID 158859780

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one?
The IUPAC name of 7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one (CID 142839254) is 7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one.
What is the SMILES notation for 7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one?
The canonical SMILES for 7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one is CCCn1cnc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1=O.
What is the InChIKey of 7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one?
The InChIKey is HGYFIKLPDCKCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-2-10-24-14-21-17-16(18(24)26)25(13-15-6-4-3-5-7-15)19(22-17)23-11-8-20-9-12-23/h3-7,14,20H,2,8-13H2,1H3.
What are the key properties of 7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one?
7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one has a molecular weight of 352.44 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-8-piperazin-1-yl-1-propylpurin-6-one is sourced from PubChem (CID 142839254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).