2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide

C18H31N7O3 — CID 73282258

IUPAC2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide
SMILESCCCCCCN1C(N2CCN(CC(N)=O)CC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C18H31N7O3/c1-3-4-5-6-7-25-14-15(22(2)18(28)21-16(14)27)20-17(25)24-10-8-23(9-11-24)12-13(19)26/h14-15H,3-12H2,1-2H3,(H2,19,26)(H,21,27,28)
InChIKeyODTYEAXPGRIDOG-UHFFFAOYSA-N
MW393.49 g/mol
LogP-0.78
Rot. Bonds7

About 2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide

2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide (PubChem CID 73282258) has the molecular formula C18H31N7O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide
PubChem CID73282258
Molecular FormulaC18H31N7O3
Molecular Weight393.49 g/mol
Exact Mass393.25
IUPAC Name2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide
SMILESCCCCCCN1C(N2CCN(CC(N)=O)CC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C18H31N7O3/c1-3-4-5-6-7-25-14-15(22(2)18(28)21-16(14)27)20-17(25)24-10-8-23(9-11-24)12-13(19)26/h14-15H,3-12H2,1-2H3,(H2,19,26)(H,21,27,28)
InChIKeyODTYEAXPGRIDOG-UHFFFAOYSA-N
XLogP-0.78
TPSA114.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide 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

8-(4-ethylpiperazin-1-yl)-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78379500
7-dodecyl-3-methyl-8-(4-methylpiperazin-1-yl)-4,5-dihydropurine-2,6-dione
CID 45053494
3-methyl-7-octyl-8-piperidin-1-yl-4,5-dihydropurine-2,6-dione
CID 78303083
3-methyl-7-pentyl-8-piperazin-1-yl-4,5-dihydropurine-2,6-dione
CID 78302977
7-hexadecyl-3-methyl-8-morpholin-4-yl-4,5-dihydropurine-2,6-dione
CID 78303401
3-methyl-8-morpholin-4-yl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 78302969
2-[4-[7-[(2,4-dichlorophenyl)methyl]-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide
CID 74729390
2-[4-[3-methyl-7-[(3-methylphenyl)methyl]-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetamide
CID 74691469
8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-7-hexyl-3-methyl-4,5-dihydropurine-2,6-dione
CID 73329024
7-butyl-3-methyl-8-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-4,5-dihydropurine-2,6-dione
CID 73327360
ethyl 2-[4-[3-methyl-7-(2-methylpropyl)-2,6-dioxo-4,5-dihydropurin-8-yl]piperazin-1-yl]acetate
CID 73327369
8-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-3-methyl-7-pentyl-4,5-dihydropurine-2,6-dione
CID 73329021

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide (CID 73282258) is 2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide is CCCCCCN1C(N2CCN(CC(N)=O)CC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide?
The InChIKey is ODTYEAXPGRIDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N7O3/c1-3-4-5-6-7-25-14-15(22(2)18(28)21-16(14)27)20-17(25)24-10-8-23(9-11-24)12-13(19)26/h14-15H,3-12H2,1-2H3,(H2,19,26)(H,21,27,28).
What are the key properties of 2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide?
2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide has a molecular weight of 393.49 g/mol, XLogP of -0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-hexyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 73282258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).