1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione

C15H23N5O2 — CID 82464598

IUPAC1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)n(C)c(=O)c2c1nc(C1CCNCC1)n2C
InChIInChI=1S/C15H23N5O2/c1-4-9-20-13-11(14(21)19(3)15(20)22)18(2)12(17-13)10-5-7-16-8-6-10/h10,16H,4-9H2,1-3H3
InChIKeyNLSPSVSMWCZKOE-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.31
Rot. Bonds3

About 1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione

1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione (PubChem CID 82464598) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione.

Molecular Properties

Compound Name1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
PubChem CID82464598
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)n(C)c(=O)c2c1nc(C1CCNCC1)n2C
InChIInChI=1S/C15H23N5O2/c1-4-9-20-13-11(14(21)19(3)15(20)22)18(2)12(17-13)10-5-7-16-8-6-10/h10,16H,4-9H2,1-3H3
InChIKeyNLSPSVSMWCZKOE-UHFFFAOYSA-N
XLogP0.31
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464497
7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464122
2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one
CID 112707871
1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione
CID 82463753
7-(3-aminopropyl)-8-cyclopropyl-1-methyl-3-propylpurine-2,6-dione
CID 82465892
8-(dicyclopropylmethyl)-1,7-dimethyl-3-propylpurine-2,6-dione
CID 11723303
7-but-2-ynyl-1-methyl-8-piperazin-1-yl-3-propylpurine-2,6-dione
CID 10193542
3-(2-methoxyethyl)-7-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464231
1-(2-aminoethyl)-8-cyclopropyl-7-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 82466419
8-cyclopentyl-7-methyl-1-propyl-3H-purine-2,6-dione
CID 10612506
7-ethyl-1-methyl-8-(methylamino)-3-propylpurine-2,6-dione
CID 82464656
7-(2-aminoethyl)-8-cyclopropyl-3-(2-methoxyethyl)-1-methylpurine-2,6-dione
CID 82465978

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione?
The IUPAC name of 1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione (CID 82464598) is 1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione.
What is the SMILES notation for 1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione?
The canonical SMILES for 1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione is CCCn1c(=O)n(C)c(=O)c2c1nc(C1CCNCC1)n2C.
What is the InChIKey of 1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione?
The InChIKey is NLSPSVSMWCZKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-4-9-20-13-11(14(21)19(3)15(20)22)18(2)12(17-13)10-5-7-16-8-6-10/h10,16H,4-9H2,1-3H3.
What are the key properties of 1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione?
1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione has a molecular weight of 305.38 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione is sourced from PubChem (CID 82464598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).