furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone;hydrochloride

C18H29ClN6O3 — CID 6602626

IUPACfuran-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone;hydrochloride
SMILESCOCCn1nnnc1C(CC(C)C)N1CCN(C(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C18H28N6O3.ClH/c1-14(2)13-15(17-19-20-21-24(17)10-12-26-3)22-6-8-23(9-7-22)18(25)16-5-4-11-27-16;/h4-5,11,14-15H,6-10,12-13H2,1-3H3;1H
InChIKeyWUCLMYYAWWZUMR-UHFFFAOYSA-N
MW412.92 g/mol
LogP1.88
Rot. Bonds8

About furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone;hydrochloride

furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 6602626) has the molecular formula C18H29ClN6O3 and a molecular weight of 412.92 g/mol. Its IUPAC name is furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namefuran-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID6602626
Molecular FormulaC18H29ClN6O3
Molecular Weight412.92 g/mol
Exact Mass412.20
IUPAC Namefuran-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone;hydrochloride
SMILESCOCCn1nnnc1C(CC(C)C)N1CCN(C(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C18H28N6O3.ClH/c1-14(2)13-15(17-19-20-21-24(17)10-12-26-3)22-6-8-23(9-7-22)18(25)16-5-4-11-27-16;/h4-5,11,14-15H,6-10,12-13H2,1-3H3;1H
InChIKeyWUCLMYYAWWZUMR-UHFFFAOYSA-N
XLogP1.88
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
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-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone;hydrochloride (CID 6602626) is furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone;hydrochloride is COCCn1nnnc1C(CC(C)C)N1CCN(C(=O)c2ccco2)CC1.Cl.
What is the InChIKey of furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is WUCLMYYAWWZUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O3.ClH/c1-14(2)13-15(17-19-20-21-24(17)10-12-26-3)22-6-8-23(9-7-22)18(25)16-5-4-11-27-16;/h4-5,11,14-15H,6-10,12-13H2,1-3H3;1H.
What are the key properties of furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone;hydrochloride?
furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 412.92 g/mol, XLogP of 1.88, 8 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-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 6602626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).