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

C15H24N6O4 — CID 142690157

IUPACN,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
SMILESCCN(CC)C(=O)N1C(=O)NC(=O)C2(O)N=CN(C3CCNCC3)C12
InChIInChI=1S/C15H24N6O4/c1-3-19(4-2)14(24)21-12-15(25,11(22)18-13(21)23)17-9-20(12)10-5-7-16-8-6-10/h9-10,12,16,25H,3-8H2,1-2H3,(H,18,22,23)
InChIKeyYZGUUDRSVPENBW-UHFFFAOYSA-N
MW352.40 g/mol
LogP-0.89
Rot. Bonds3

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

N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide (PubChem CID 142690157) has the molecular formula C15H24N6O4 and a molecular weight of 352.40 g/mol. Its IUPAC name is N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
PubChem CID142690157
Molecular FormulaC15H24N6O4
Molecular Weight352.40 g/mol
Exact Mass352.19
IUPAC NameN,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
SMILESCCN(CC)C(=O)N1C(=O)NC(=O)C2(O)N=CN(C3CCNCC3)C12
InChIInChI=1S/C15H24N6O4/c1-3-19(4-2)14(24)21-12-15(25,11(22)18-13(21)23)17-9-20(12)10-5-7-16-8-6-10/h9-10,12,16,25H,3-8H2,1-2H3,(H,18,22,23)
InChIKeyYZGUUDRSVPENBW-UHFFFAOYSA-N
XLogP-0.89
TPSA117.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

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
5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carbonitrile
CID 142690168
N-ethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide
CID 142690184
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,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide?
The IUPAC name of N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide (CID 142690157) is N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide is CCN(CC)C(=O)N1C(=O)NC(=O)C2(O)N=CN(C3CCNCC3)C12.
What is the InChIKey of N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide?
The InChIKey is YZGUUDRSVPENBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O4/c1-3-19(4-2)14(24)21-12-15(25,11(22)18-13(21)23)17-9-20(12)10-5-7-16-8-6-10/h9-10,12,16,25H,3-8H2,1-2H3,(H,18,22,23).
What are the key properties of N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide?
N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of -0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-hydroxy-2,6-dioxo-9-piperidin-4-yl-4H-purine-3-carboxamide is sourced from PubChem (CID 142690157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).