2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide

C19H24N7O5+ — CID 7007922

IUPAC2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
SMILESCn1c(=O)c2c(nc(C[NH+]3CCN(C(=O)c4ccco4)CC3)n2CC(N)=O)n(C)c1=O
InChIInChI=1S/C19H23N7O5/c1-22-16-15(18(29)23(2)19(22)30)26(10-13(20)27)14(21-16)11-24-5-7-25(8-6-24)17(28)12-4-3-9-31-12/h3-4,9H,5-8,10-11H2,1-2H3,(H2,20,27)/p+1
InChIKeyKBUSQXCSQANXLW-UHFFFAOYSA-O
MW430.45 g/mol
LogP-2.95
Rot. Bonds5

About 2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide

2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide (PubChem CID 7007922) has the molecular formula C19H24N7O5+ and a molecular weight of 430.45 g/mol. Its IUPAC name is 2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide.

Molecular Properties

Compound Name2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
PubChem CID7007922
Molecular FormulaC19H24N7O5+
Molecular Weight430.45 g/mol
Exact Mass430.18
IUPAC Name2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
SMILESCn1c(=O)c2c(nc(C[NH+]3CCN(C(=O)c4ccco4)CC3)n2CC(N)=O)n(C)c1=O
InChIInChI=1S/C19H23N7O5/c1-22-16-15(18(29)23(2)19(22)30)26(10-13(20)27)14(21-16)11-24-5-7-25(8-6-24)17(28)12-4-3-9-31-12/h3-4,9H,5-8,10-11H2,1-2H3,(H2,20,27)/p+1
InChIKeyKBUSQXCSQANXLW-UHFFFAOYSA-O
XLogP-2.95
TPSA142.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.45
LogP ≤ 5-2.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide with MolForge

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Related Compounds

8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
CID 7008279
ethyl 4-[[7-(2-amino-2-oxoethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]methyl]piperazin-4-ium-1-carboxylate
CID 7007904
8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
CID 3337960
7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
CID 3070238
furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone
CID 7391535
1,3-dimethyl-7-(2-morpholin-4-ium-4-ylethyl)-8-(morpholin-4-ium-4-ylmethyl)purine-2,6-dione
CID 7010809
7-[(4-fluorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-ium-1-ylmethyl)purine-2,6-dione
CID 7011665
2-[8-(azepan-1-yl)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
CID 16805311
2-[1,3-dimethyl-8-[[(3R)-3-methylpiperidin-1-yl]methyl]-2,6-dioxopurin-7-yl]acetamide
CID 767630
2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-3H-quinazolin-4-one
CID 135777794
[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 4742822
N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932752

Frequently Asked Questions

What is the IUPAC name of 2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide?
The IUPAC name of 2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide (CID 7007922) is 2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide.
What is the SMILES notation for 2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide?
The canonical SMILES for 2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide is Cn1c(=O)c2c(nc(C[NH+]3CCN(C(=O)c4ccco4)CC3)n2CC(N)=O)n(C)c1=O.
What is the InChIKey of 2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide?
The InChIKey is KBUSQXCSQANXLW-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H23N7O5/c1-22-16-15(18(29)23(2)19(22)30)26(10-13(20)27)14(21-16)11-24-5-7-25(8-6-24)17(28)12-4-3-9-31-12/h3-4,9H,5-8,10-11H2,1-2H3,(H2,20,27)/p+1.
What are the key properties of 2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide?
2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide has a molecular weight of 430.45 g/mol, XLogP of -2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide is sourced from PubChem (CID 7007922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).