N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide

C13H20N6O4 — CID 142690184

IUPACN-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
SMILESCCNC(=O)N1C(=O)NC(=O)C2(O)N=CN(C3CCNCC3)C12
InChIInChI=1S/C13H20N6O4/c1-2-15-11(21)19-10-13(23,9(20)17-12(19)22)16-7-18(10)8-3-5-14-6-4-8/h7-8,10,14,23H,2-6H2,1H3,(H,15,21)(H,17,20,22)
InChIKeyYQXUPWFJUHGTLS-UHFFFAOYSA-N
MW324.34 g/mol
LogP-1.62
Rot. Bonds2

About N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide

N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide (PubChem CID 142690184) has the molecular formula C13H20N6O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
PubChem CID142690184
Molecular FormulaC13H20N6O4
Molecular Weight324.34 g/mol
Exact Mass324.15
IUPAC NameN-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
SMILESCCNC(=O)N1C(=O)NC(=O)C2(O)N=CN(C3CCNCC3)C12
InChIInChI=1S/C13H20N6O4/c1-2-15-11(21)19-10-13(23,9(20)17-12(19)22)16-7-18(10)8-3-5-14-6-4-8/h7-8,10,14,23H,2-6H2,1H3,(H,15,21)(H,17,20,22)
InChIKeyYQXUPWFJUHGTLS-UHFFFAOYSA-N
XLogP-1.62
TPSA126.37 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide with MolForge

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Related Compounds

9-(8-azabicyclo[3.2.1]octan-3-yl)-N,N-diethyl-5-hydroxy-2,6-dioxo-4H-purine-3-carboxamide
CID 142689812
N,N-diethyl-5-methoxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
CID 142690130
3-bromo-5-methoxy-9-piperidin-4-yl-4H-purine-2,6-dione
CID 142690144
N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboximidamide
CID 142690152
N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
CID 142690157
5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carbonitrile
CID 142690168
2-(1,3-dimethyl-2,6-dioxo-4,5-dihydropurin-7-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 53237793
7-(2-Hydroxyethyl)-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
CID 73257360
2-[8-(4-Ethylpiperazin-1-yl)-3-methyl-2,6-dioxo-4,5-dihydropurin-7-yl]acetic acid
CID 74776522
7-Hexyl-3-methyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
CID 74813963
3-Methyl-7-pentyl-8-(4-propanoylpiperazin-1-yl)-4,5-dihydropurine-2,6-dione
CID 77115473
3,7-Dimethyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
CID 78202431

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide?
The IUPAC name of N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide (CID 142690184) is N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide.
What is the SMILES notation for N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide?
The canonical SMILES for N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide is CCNC(=O)N1C(=O)NC(=O)C2(O)N=CN(C3CCNCC3)C12.
What is the InChIKey of N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide?
The InChIKey is YQXUPWFJUHGTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O4/c1-2-15-11(21)19-10-13(23,9(20)17-12(19)22)16-7-18(10)8-3-5-14-6-4-8/h7-8,10,14,23H,2-6H2,1H3,(H,15,21)(H,17,20,22).
What are the key properties of N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide?
N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of -1.62, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide is sourced from PubChem (CID 142690184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).