7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione

C18H22N6O4 — CID 3070238

IUPAC7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CCN2CCN(C(=O)c3ccco3)CC2)n(C)c1=O
InChIInChI=1S/C18H22N6O4/c1-20-15-14(17(26)21(2)18(20)27)24(12-19-15)10-7-22-5-8-23(9-6-22)16(25)13-4-3-11-28-13/h3-4,11-12H,5-10H2,1-2H3
InChIKeyZMOQJWWUNMTKFC-UHFFFAOYSA-N
MW386.41 g/mol
LogP-0.52
Rot. Bonds4

About 7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione

7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione (PubChem CID 3070238) has the molecular formula C18H22N6O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
PubChem CID3070238
Molecular FormulaC18H22N6O4
Molecular Weight386.41 g/mol
Exact Mass386.17
IUPAC Name7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2CCN2CCN(C(=O)c3ccco3)CC2)n(C)c1=O
InChIInChI=1S/C18H22N6O4/c1-20-15-14(17(26)21(2)18(20)27)24(12-19-15)10-7-22-5-8-23(9-6-22)16(25)13-4-3-11-28-13/h3-4,11-12H,5-10H2,1-2H3
InChIKeyZMOQJWWUNMTKFC-UHFFFAOYSA-N
XLogP-0.52
TPSA98.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione with MolForge

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Related Compounds

7-[2-(4-acetylpiperazin-1-yl)ethyl]-1,3-dimethylpurine-2,6-dione
CID 31310638
7-[2-[4-(furan-2-ylmethyl)-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 23966399
8-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione
CID 3337960
6-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-2,4,7,8-tetramethyl-5H-purino[7,8-a]imidazol-6-ium-1,3-dione
CID 156677261
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 90508799
bis(7-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione);methane;hydrochloride
CID 158526882
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]furan-2-carboxamide
CID 4051467
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
8-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
CID 7008279

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione (CID 3070238) is 7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione is Cn1c(=O)c2c(ncn2CCN2CCN(C(=O)c3ccco3)CC2)n(C)c1=O.
What is the InChIKey of 7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione?
The InChIKey is ZMOQJWWUNMTKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4/c1-20-15-14(17(26)21(2)18(20)27)24(12-19-15)10-7-22-5-8-23(9-6-22)16(25)13-4-3-11-28-13/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione?
7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione has a molecular weight of 386.41 g/mol, XLogP of -0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 3070238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).