furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]methanone;hydrochloride

C20H25ClN6O3 — CID 24792374

IUPACfuran-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]methanone;hydrochloride
SMILESCOCCn1nnnc1C(c1ccccc1)N1CCN(C(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C20H24N6O3.ClH/c1-28-15-13-26-19(21-22-23-26)18(16-6-3-2-4-7-16)24-9-11-25(12-10-24)20(27)17-8-5-14-29-17;/h2-8,14,18H,9-13,15H2,1H3;1H
InChIKeyWZZABLDYWBYZLA-UHFFFAOYSA-N
MW432.91 g/mol
LogP1.88
Rot. Bonds7

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

furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 24792374) has the molecular formula C20H25ClN6O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namefuran-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID24792374
Molecular FormulaC20H25ClN6O3
Molecular Weight432.91 g/mol
Exact Mass432.17
IUPAC Namefuran-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]methanone;hydrochloride
SMILESCOCCn1nnnc1C(c1ccccc1)N1CCN(C(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C20H24N6O3.ClH/c1-28-15-13-26-19(21-22-23-26)18(16-6-3-2-4-7-16)24-9-11-25(12-10-24)20(27)17-8-5-14-29-17;/h2-8,14,18H,9-13,15H2,1H3;1H
InChIKeyWZZABLDYWBYZLA-UHFFFAOYSA-N
XLogP1.88
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 51.88
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]-phenylmethyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]methanone;hydrochloride (CID 24792374) is furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]methanone;hydrochloride is COCCn1nnnc1C(c1ccccc1)N1CCN(C(=O)c2ccco2)CC1.Cl.
What is the InChIKey of furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is WZZABLDYWBYZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3.ClH/c1-28-15-13-26-19(21-22-23-26)18(16-6-3-2-4-7-16)24-9-11-25(12-10-24)20(27)17-8-5-14-29-17;/h2-8,14,18H,9-13,15H2,1H3;1H.
What are the key properties of furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]methanone;hydrochloride?
furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 432.91 g/mol, XLogP of 1.88, 7 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]-phenylmethyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 24792374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).