8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione

C15H24N6O2 — CID 150192833

IUPAC8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione
SMILESCC1(CCCC(N)N2CCCCC2)N=c2[nH]c(=O)[nH]c(=O)c2=N1
InChIInChI=1S/C15H24N6O2/c1-15(7-5-6-10(16)21-8-3-2-4-9-21)19-11-12(20-15)17-14(23)18-13(11)22/h10H,2-9,16H2,1H3,(H2,17,18,20,22,23)
InChIKeyFNUNXLOFXBZNPC-UHFFFAOYSA-N
MW320.40 g/mol
LogP-1.03
Rot. Bonds5

About 8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione

8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione (PubChem CID 150192833) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione.

Molecular Properties

Compound Name8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione
PubChem CID150192833
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione
SMILESCC1(CCCC(N)N2CCCCC2)N=c2[nH]c(=O)[nH]c(=O)c2=N1
InChIInChI=1S/C15H24N6O2/c1-15(7-5-6-10(16)21-8-3-2-4-9-21)19-11-12(20-15)17-14(23)18-13(11)22/h10H,2-9,16H2,1H3,(H2,17,18,20,22,23)
InChIKeyFNUNXLOFXBZNPC-UHFFFAOYSA-N
XLogP-1.03
TPSA119.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione with MolForge

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Related Compounds

1-(5'-Oxohexyl)-dimethylxanthin
CID 129650595
1-cyclopentyl-8,8-dipropyl-3H-purine-2,6-dione
CID 129671488
Octylamino-undecyl-dimethylxanthine
CID 129737847
3-Dodecylpurine-2,6,8-trione
CID 66845169
1-Hexyl-3-methylpurine-2,6,8-trione
CID 69697300
4-Amino-1,3-dimethyl-8-(2-piperazin-1-ylbutyl)purine-2,6-dione
CID 118467449
1-(7-aminooctyl)-8,8-dimethyl-3H-purine-2,6-dione
CID 141597060
1',3'-Dimethylspiro[cyclohexane-1,8'-purin-9-ium]-2',6'-dione
CID 6940495
Cyclohexyl-(1,3-dimethyl-2,6-dioxopurin-8-ylidene)azanium
CID 75094333
Butyl-(1,3-dimethyl-2,6-dioxopurin-8-ylidene)azanium
CID 78175516
1,3-Dimethyl-8-piperidin-1-ium-1-ylidenepurine-2,6-dione
CID 78175543
2-[1,3-dimethyl-2,6-dioxo-8-(piperidin-1-ylmethyl)-5H-purin-7-ium-7-yl]acetamide
CID 78208138

Frequently Asked Questions

What is the IUPAC name of 8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione?
The IUPAC name of 8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione (CID 150192833) is 8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione.
What is the SMILES notation for 8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione?
The canonical SMILES for 8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione is CC1(CCCC(N)N2CCCCC2)N=c2[nH]c(=O)[nH]c(=O)c2=N1.
What is the InChIKey of 8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione?
The InChIKey is FNUNXLOFXBZNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-15(7-5-6-10(16)21-8-3-2-4-9-21)19-11-12(20-15)17-14(23)18-13(11)22/h10H,2-9,16H2,1H3,(H2,17,18,20,22,23).
What are the key properties of 8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione?
8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione has a molecular weight of 320.40 g/mol, XLogP of -1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-amino-4-piperidin-1-ylbutyl)-8-methyl-3H-purine-2,6-dione is sourced from PubChem (CID 150192833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).