furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone

C14H20N6O3 — CID 3209259

IUPACfuran-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCOCCn1nnnc1CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H20N6O3/c1-22-10-8-20-13(15-16-17-20)11-18-4-6-19(7-5-18)14(21)12-3-2-9-23-12/h2-3,9H,4-8,10-11H2,1H3
InChIKeyIUOPQKOOBAVZQA-UHFFFAOYSA-N
MW320.35 g/mol
LogP-0.13
Rot. Bonds6

About furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone

furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 3209259) has the molecular formula C14H20N6O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID3209259
Molecular FormulaC14H20N6O3
Molecular Weight320.35 g/mol
Exact Mass320.16
IUPAC Namefuran-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCOCCn1nnnc1CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H20N6O3/c1-22-10-8-20-13(15-16-17-20)11-18-4-6-19(7-5-18)14(21)12-3-2-9-23-12/h2-3,9H,4-8,10-11H2,1H3
InChIKeyIUOPQKOOBAVZQA-UHFFFAOYSA-N
XLogP-0.13
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone (CID 3209259) is furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is COCCn1nnnc1CN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is IUOPQKOOBAVZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O3/c1-22-10-8-20-13(15-16-17-20)11-18-4-6-19(7-5-18)14(21)12-3-2-9-23-12/h2-3,9H,4-8,10-11H2,1H3.
What are the key properties of furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 320.35 g/mol, XLogP of -0.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 3209259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).