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

C16H27N7O3 — CID 73282327

IUPAC2-[4-(7-butyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide
SMILESCCCCN1C(N2CCN(CC(N)=O)CC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C16H27N7O3/c1-3-4-5-23-12-13(20(2)16(26)19-14(12)25)18-15(23)22-8-6-21(7-9-22)10-11(17)24/h12-13H,3-10H2,1-2H3,(H2,17,24)(H,19,25,26)
InChIKeySKTHMONJJMOCCV-UHFFFAOYSA-N
MW365.44 g/mol
LogP-1.56
Rot. Bonds5

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

2-[4-(7-butyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide (PubChem CID 73282327) has the molecular formula C16H27N7O3 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[4-(7-butyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(7-butyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide
PubChem CID73282327
Molecular FormulaC16H27N7O3
Molecular Weight365.44 g/mol
Exact Mass365.22
IUPAC Name2-[4-(7-butyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide
SMILESCCCCN1C(N2CCN(CC(N)=O)CC2)=NC2C1C(=O)NC(=O)N2C
InChIInChI=1S/C16H27N7O3/c1-3-4-5-23-12-13(20(2)16(26)19-14(12)25)18-15(23)22-8-6-21(7-9-22)10-11(17)24/h12-13H,3-10H2,1-2H3,(H2,17,24)(H,19,25,26)
InChIKeySKTHMONJJMOCCV-UHFFFAOYSA-N
XLogP-1.56
TPSA114.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(7-butyl-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

1-butyl-3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 44339609
1-methyl-3-(2-methylpropyl)-5,7-dihydro-4H-purine-2,6-dione
CID 526707
8-[(1,3-dimethyl-2,6-dioxo-5,7-dihydro-4H-purin-8-yl)disulfanyl]-1,3-dimethyl-5,7-dihydro-4H-purine-2,6-dione
CID 44346627
1-(5-Aminohexyl)-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 138963613
8-[4-(2,2-Difluoroethyl)piperazin-1-yl]-3,7-dimethyl-4,5-dihydropurine-2,6-dione
CID 133569139
1,3,9-trimethyl-6,7,8,9,10,11a-hexahydro-4aH-purino[7,8-a][1,3]diazepine-2,4-dione
CID 357305
1H-Purine-2,6-dione, 3,4,5,9-tetrahydro-1,3-dimethyl-
CID 3052767
3-ethyl-5,7-dihydro-4H-purine-2,6-dione
CID 15346966
3-methyl-5,7-dihydro-4H-purine-2,6-dione
CID 15765823
1-Methyl-3,4,5,7-tetrahydropurine-2,6-dione
CID 23558449
3,9-Dimethyl-4,5-dihydropurine-2,6-dione
CID 45051986
3-propyl-5,7-dihydro-4H-purine-2,6-dione
CID 45272369

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-butyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide?
The IUPAC name of 2-[4-(7-butyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide (CID 73282327) is 2-[4-(7-butyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-[4-(7-butyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-[4-(7-butyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide is CCCCN1C(N2CCN(CC(N)=O)CC2)=NC2C1C(=O)NC(=O)N2C.
What is the InChIKey of 2-[4-(7-butyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide?
The InChIKey is SKTHMONJJMOCCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N7O3/c1-3-4-5-23-12-13(20(2)16(26)19-14(12)25)18-15(23)22-8-6-21(7-9-22)10-11(17)24/h12-13H,3-10H2,1-2H3,(H2,17,24)(H,19,25,26).
What are the key properties of 2-[4-(7-butyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide?
2-[4-(7-butyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide has a molecular weight of 365.44 g/mol, XLogP of -1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-butyl-3-methyl-2,6-dioxo-4,5-dihydropurin-8-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 73282327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).