1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione

C15H23N5O2 — CID 110175958

IUPAC1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CCCN2CCCCC2)n(C)c1=O
InChIInChI=1S/C15H23N5O2/c1-17-13-12(14(21)18(2)15(17)22)20(11-16-13)10-6-9-19-7-4-3-5-8-19/h11H,3-10H2,1-2H3
InChIKeyKPKYQKBENRFZHR-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.31
Rot. Bonds4

About 1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione

1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione (PubChem CID 110175958) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione
PubChem CID110175958
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CCCN2CCCCC2)n(C)c1=O
InChIInChI=1S/C15H23N5O2/c1-17-13-12(14(21)18(2)15(17)22)20(11-16-13)10-6-9-19-7-4-3-5-8-19/h11H,3-10H2,1-2H3
InChIKeyKPKYQKBENRFZHR-UHFFFAOYSA-N
XLogP0.31
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
CID 736564
7-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione
CID 31310638
7-[2-[3-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethoxy]propoxy]ethyl]-1,3-dimethylpurine-2,6-dione
CID 121334074
7-(15-hydroxypentadecyl)-1,3-dimethylpurine-2,6-dione
CID 67820115
7-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-1,3-dimethylpurine-2,6-dione
CID 118724647
7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 118724631
1,3-dimethyl-7-[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]purine-2,6-dione
CID 167796880
1,3-dimethyl-7-[3-(1-propylpiperidin-1-ium-1-yl)propyl]purine-2,6-dione bromide
CID 110175977
7-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 118724646
1,3-dimethyl-7-[2-[(1-methylazepan-2-ylidene)amino]ethyl]purine-2,6-dione
CID 705232
7-(2-aminoethyl)-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 2965224
1,3-dimethyl-7-[2-(5-oxo-1,4-diazepan-1-yl)ethyl]purine-2,6-dione
CID 56809659

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione?
The IUPAC name of 1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione (CID 110175958) is 1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione is Cn1c(=O)c2c(ncn2CCCN2CCCCC2)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione?
The InChIKey is KPKYQKBENRFZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-17-13-12(14(21)18(2)15(17)22)20(11-16-13)10-6-9-19-7-4-3-5-8-19/h11H,3-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione?
1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione has a molecular weight of 305.38 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-(3-piperidin-1-ylpropyl)purine-2,6-dione is sourced from PubChem (CID 110175958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).