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

C14H21N5O2 — CID 82464122

IUPAC7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c1nc(C1CCNCC1)n2C
InChIInChI=1S/C14H21N5O2/c1-3-8-19-12-10(13(20)17-14(19)21)18(2)11(16-12)9-4-6-15-7-5-9/h9,15H,3-8H2,1-2H3,(H,17,20,21)
InChIKeyBHWFYVLWFARBOT-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.30
Rot. Bonds3

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

7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione (PubChem CID 82464122) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione.

Molecular Properties

Compound Name7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
PubChem CID82464122
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
SMILESCCCn1c(=O)[nH]c(=O)c2c1nc(C1CCNCC1)n2C
InChIInChI=1S/C14H21N5O2/c1-3-8-19-12-10(13(20)17-14(19)21)18(2)11(16-12)9-4-6-15-7-5-9/h9,15H,3-8H2,1-2H3,(H,17,20,21)
InChIKeyBHWFYVLWFARBOT-UHFFFAOYSA-N
XLogP0.30
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyethyl)-7-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464231
1,7-dimethyl-8-piperidin-4-yl-3-propylpurine-2,6-dione
CID 82464598
3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione
CID 82466111
2-methyl-5-piperidin-4-yl-4-propyl-1,2,4-triazol-3-one
CID 112707871
8-cyclopentyl-7-methyl-1-propyl-3H-purine-2,6-dione
CID 10612506
3,7-diethyl-1-methyl-8-piperidin-4-ylpurine-2,6-dione
CID 82464497
3-butyl-7-(piperidin-4-ylmethyl)purine-2,6-dione
CID 82465638
1,3-dimethyl-8-piperidin-4-yl-9-propylpurine-2,6-dione
CID 82463753
8-(2-aminoethylamino)-7-methyl-3-propylpurine-2,6-dione
CID 82464133
3-(3-methoxypropyl)-7-methyl-8-pyrrolidin-2-ylpurine-2,6-dione
CID 82464321
8-bromo-3-methyl-7-propylpurine-2,6-dione
CID 747357
(3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 4-oxocyclohexane-1-carboxylate
CID 75468132

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione?
The IUPAC name of 7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione (CID 82464122) is 7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione.
What is the SMILES notation for 7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione?
The canonical SMILES for 7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione is CCCn1c(=O)[nH]c(=O)c2c1nc(C1CCNCC1)n2C.
What is the InChIKey of 7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione?
The InChIKey is BHWFYVLWFARBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-8-19-12-10(13(20)17-14(19)21)18(2)11(16-12)9-4-6-15-7-5-9/h9,15H,3-8H2,1-2H3,(H,17,20,21).
What are the key properties of 7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione?
7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione has a molecular weight of 291.36 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-piperidin-4-yl-3-propylpurine-2,6-dione is sourced from PubChem (CID 82464122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).