1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide

C15H22N6O4 — CID 3151075

IUPAC1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
SMILESCOCCn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C15H22N6O4/c1-19-12-10(13(23)18-15(19)24)21(7-8-25-2)14(17-12)20-5-3-9(4-6-20)11(16)22/h9H,3-8H2,1-2H3,(H2,16,22)(H,18,23,24)
InChIKeyICMCZXUVRLIIEU-UHFFFAOYSA-N
MW350.38 g/mol
LogP-1.23
Rot. Bonds5

About 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide

1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide (PubChem CID 3151075) has the molecular formula C15H22N6O4 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
PubChem CID3151075
Molecular FormulaC15H22N6O4
Molecular Weight350.38 g/mol
Exact Mass350.17
IUPAC Name1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
SMILESCOCCn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C
InChIInChI=1S/C15H22N6O4/c1-19-12-10(13(23)18-15(19)24)21(7-8-25-2)14(17-12)20-5-3-9(4-6-20)11(16)22/h9H,3-8H2,1-2H3,(H2,16,22)(H,18,23,24)
InChIKeyICMCZXUVRLIIEU-UHFFFAOYSA-N
XLogP-1.23
TPSA128.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

7-(2-methoxyethyl)-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione
CID 2988615
8-(3,5-dimethylpiperidin-1-yl)-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3157419
8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 6996086
3-methyl-7-[2-[2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)ethoxy]ethyl]-8-piperidin-1-ylpurine-2,6-dione
CID 3920803
1-[7-[(2S)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-methylpropyl]-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide
CID 41106087
3-methyl-8-(4-methylpiperidin-1-yl)-7-propylpurine-2,6-dione
CID 16812242
methyl 2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)acetate
CID 3505877
2-(3-methyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)acetamide
CID 4278932
7-(2-ethoxyethyl)-3-methyl-8-(4-propanoylpiperazin-1-yl)purine-2,6-dione
CID 66485634
7-(2-hydrazinylethyl)-3-methyl-8-piperidin-1-ylpurine-2,6-dione
CID 5128003
8-(4-butanoylpiperazin-1-yl)-7-(2-ethoxyethyl)-3-methylpurine-2,6-dione
CID 66491448
8-hydrazinyl-7-(2-methoxyethyl)-3-methylpurine-2,6-dione
CID 3123512

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide (CID 3151075) is 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide is COCCn1c(N2CCC(C(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C.
What is the InChIKey of 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide?
The InChIKey is ICMCZXUVRLIIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O4/c1-19-12-10(13(23)18-15(19)24)21(7-8-25-2)14(17-12)20-5-3-9(4-6-20)11(16)22/h9H,3-8H2,1-2H3,(H2,16,22)(H,18,23,24).
What are the key properties of 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide?
1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide has a molecular weight of 350.38 g/mol, XLogP of -1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-methoxyethyl)-3-methyl-2,6-dioxopurin-8-yl]piperidine-4-carboxamide is sourced from PubChem (CID 3151075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).