N,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide

C23H36N8O3 — CID 117082572

IUPACN,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2nc(NCCO)c3ncn(CCN4CCCC4=O)c3n2)C1
InChIInChI=1S/C23H36N8O3/c1-3-28(4-2)22(34)17-7-5-11-30(15-17)23-26-20(24-9-14-32)19-21(27-23)31(16-25-19)13-12-29-10-6-8-18(29)33/h16-17,32H,3-15H2,1-2H3,(H,24,26,27)
InChIKeyJWIIUMZWWHZCCH-UHFFFAOYSA-N
MW472.59 g/mol
LogP0.94
Rot. Bonds10

About N,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide

N,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide (PubChem CID 117082572) has the molecular formula C23H36N8O3 and a molecular weight of 472.59 g/mol. Its IUPAC name is N,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide
PubChem CID117082572
Molecular FormulaC23H36N8O3
Molecular Weight472.59 g/mol
Exact Mass472.29
IUPAC NameN,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2nc(NCCO)c3ncn(CCN4CCCC4=O)c3n2)C1
InChIInChI=1S/C23H36N8O3/c1-3-28(4-2)22(34)17-7-5-11-30(15-17)23-26-20(24-9-14-32)19-21(27-23)31(16-25-19)13-12-29-10-6-8-18(29)33/h16-17,32H,3-15H2,1-2H3,(H,24,26,27)
InChIKeyJWIIUMZWWHZCCH-UHFFFAOYSA-N
XLogP0.94
TPSA119.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diethyl-1-[6-(2-phenoxyethylamino)-9-phenylpurin-2-yl]piperidine-3-carboxamide
CID 117085292
1-[6-(benzylamino)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-2-yl]-N,N-diethylpiperidine-3-carboxamide
CID 117082323
1-(6-anilino-9-phenylpurin-2-yl)-N,N-diethylpiperidine-3-carboxamide
CID 117081648
1-[2-[2-chloro-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117082328
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 117088651
N,N-diethyl-1-[6-(4-morpholin-4-ylanilino)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-2-yl]piperidine-3-carboxamide
CID 117083961
N-cyclopropyl-4-[9-[2-(2-oxopyrrolidin-1-yl)ethyl]-6-(propylamino)purin-2-yl]benzamide
CID 117079484
1-[2-[6-[2-(4-hydroxyphenyl)ethylamino]-2-(4-morpholin-4-ylpiperidin-1-yl)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117079092
N,N-diethyl-1-[9-phenyl-6-(3,4,5-trimethoxyanilino)purin-2-yl]piperidine-3-carboxamide
CID 117082399
1-[6-[2-[di(propan-2-yl)amino]ethylamino]-7H-purin-2-yl]-N,N-diethylpiperidine-3-carboxamide
CID 117079756
1-[2-[2-(3-acetylphenyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117087785
N,N-diethyl-1-[9-propan-2-yl-6-(propylamino)purin-8-yl]piperidine-3-carboxamide
CID 117084509

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide (CID 117082572) is N,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(c2nc(NCCO)c3ncn(CCN4CCCC4=O)c3n2)C1.
What is the InChIKey of N,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide?
The InChIKey is JWIIUMZWWHZCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N8O3/c1-3-28(4-2)22(34)17-7-5-11-30(15-17)23-26-20(24-9-14-32)19-21(27-23)31(16-25-19)13-12-29-10-6-8-18(29)33/h16-17,32H,3-15H2,1-2H3,(H,24,26,27).
What are the key properties of N,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide?
N,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 0.94, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[6-(2-hydroxyethylamino)-9-[2-(2-oxopyrrolidin-1-yl)ethyl]purin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 117082572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).