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

C14H21N6O3+ — CID 7391535

IUPACfuran-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone
SMILESCOCCn1nnnc1C[NH+]1CCN(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/p+1
InChIKeyIUOPQKOOBAVZQA-UHFFFAOYSA-O
MW321.36 g/mol
LogP-1.55
Rot. Bonds6

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

furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone (PubChem CID 7391535) has the molecular formula C14H21N6O3+ and a molecular weight of 321.36 g/mol. Its IUPAC name is furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone
PubChem CID7391535
Molecular FormulaC14H21N6O3+
Molecular Weight321.36 g/mol
Exact Mass321.17
IUPAC Namefuran-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone
SMILESCOCCn1nnnc1C[NH+]1CCN(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/p+1
InChIKeyIUOPQKOOBAVZQA-UHFFFAOYSA-O
XLogP-1.55
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

furan-2-yl-[4-[(1R)-1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone
CID 7391486
furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazin-1-yl]methanone
CID 644981
[4-[(4-chlorophenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 24792379
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone
CID 6986222
furan-2-yl-[4-[(R)-[1-(2-methoxyethyl)tetrazol-5-yl]-quinolin-6-ylmethyl]piperazin-1-yl]methanone
CID 25413074
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CID 1448633
N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
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furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
9-(furan-2-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98896391
[4-[(1R)-1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 7224024
3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one
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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-4-ium-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone (CID 7391535) is furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone is COCCn1nnnc1C[NH+]1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone?
The InChIKey is IUOPQKOOBAVZQA-UHFFFAOYSA-O. 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/p+1.
What are the key properties of furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone?
furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone has a molecular weight of 321.36 g/mol, XLogP of -1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone is sourced from PubChem (CID 7391535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).