3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione

C14H21N5O2 — CID 82465600

IUPAC3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2c1ncn2CCC1CCCCN1
InChIInChI=1S/C14H21N5O2/c1-2-19-12-11(13(20)17-14(19)21)18(9-16-12)8-6-10-5-3-4-7-15-10/h9-10,15H,2-8H2,1H3,(H,17,20,21)
InChIKeyMZTAEJNHIZKGOB-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.44
Rot. Bonds4

About 3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione

3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione (PubChem CID 82465600) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione
PubChem CID82465600
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione
SMILESCCn1c(=O)[nH]c(=O)c2c1ncn2CCC1CCCCN1
InChIInChI=1S/C14H21N5O2/c1-2-19-12-11(13(20)17-14(19)21)18(9-16-12)8-6-10-5-3-4-7-15-10/h9-10,15H,2-8H2,1H3,(H,17,20,21)
InChIKeyMZTAEJNHIZKGOB-UHFFFAOYSA-N
XLogP0.44
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyethyl)-7-(pyrrolidin-2-ylmethyl)purine-2,6-dione
CID 82465645
7-(3-aminopropyl)-3-ethylpurine-2,6-dione
CID 82465591
CID 70394706
CID 70394706
3-butyl-7-(piperidin-4-ylmethyl)purine-2,6-dione
CID 82465638
3-(2-piperidin-2-ylethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 82105331
1-cyclopentyl-N-[[4-[(7-ethyl-2,6-dioxopurin-3-yl)methyl]phenyl]methyl]methanesulfonamide
CID 142577868
1-methyl-5-(piperidin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 63276978
5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66329320
7-methyl-3-propyl-1-(pyrrolidin-2-ylmethyl)purine-2,6-dione
CID 82466277
5-fluoro-1-(2-piperidin-2-ylethyl)pyridin-2-one
CID 82147333
3-[[4-[[(4-cyclohexyloxyphenyl)sulfanylamino]methyl]phenyl]methyl]-7-ethylpurine-2,6-dione
CID 155356459
1-(1-ethylimidazol-2-yl)-4-piperidin-2-ylbutan-2-one
CID 116563565

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione?
The IUPAC name of 3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione (CID 82465600) is 3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione.
What is the SMILES notation for 3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione?
The canonical SMILES for 3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione is CCn1c(=O)[nH]c(=O)c2c1ncn2CCC1CCCCN1.
What is the InChIKey of 3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione?
The InChIKey is MZTAEJNHIZKGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-2-19-12-11(13(20)17-14(19)21)18(9-16-12)8-6-10-5-3-4-7-15-10/h9-10,15H,2-8H2,1H3,(H,17,20,21).
What are the key properties of 3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione?
3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione has a molecular weight of 291.36 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione is sourced from PubChem (CID 82465600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).