1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide
TL;DR: 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide (CAS 887218-84-0) is a chemical compound with molecular formula C21H26N6O3 and molecular weight 410.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl]piperidine-4-carboxamide
Also Known As: 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide, AB00687063-01, 1-[(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl]piperidine-4-carboxamide, F1890-0002, 1-[(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)methyl]piperidine-4-carboxamide
| Molecular Formula | C21H26N6O3 |
|---|---|
| Molecular Weight | 410.21 g/mol |
| LogP | 0.1793 |
| Topological Polar Surface Area | 108.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.20663 |
| Heavy Atoms | 30 |
| Complexity | 1199.4353 |
Chemical Identifiers
| CAS Number | 887218-84-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC(CC3)C(=O)N)CC4=CC=CC=C4 |
Product Overview
1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide (CAS 887218-84-0), with molecular formula C21H26N6O3 and molecular weight 410.21 g/mol. IUPAC: 1-[(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)methyl]piperidine-4-carboxamide.
Chemical Property Profile of 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide
Property Insights of 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide
The XLogP value of 0.1793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide. The TPSA of 108.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide. Following Lipinski's Rule of Five, 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide?
The CAS number of 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide is 887218-84-0.
What is the molecular formula of 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide?
The molecular formula of 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide is C21H26N6O3.
What is the molecular weight of 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide?
The molecular weight of 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide is 410.21 g/mol.
Where can I buy 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide?
You can request a quote for 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-((7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)piperidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.