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

C17H27ClN6O3 — CID 6603074

IUPACfuran-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride
SMILESCCCC(c1nnnn1CCOC)N1CCN(C(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C17H26N6O3.ClH/c1-3-5-14(16-18-19-20-23(16)11-13-25-2)21-7-9-22(10-8-21)17(24)15-6-4-12-26-15;/h4,6,12,14H,3,5,7-11,13H2,1-2H3;1H
InChIKeyKUJFVAYWLOYUSB-UHFFFAOYSA-N
MW398.90 g/mol
LogP1.63
Rot. Bonds8

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

furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 6603074) has the molecular formula C17H27ClN6O3 and a molecular weight of 398.90 g/mol. Its IUPAC name is furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namefuran-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID6603074
Molecular FormulaC17H27ClN6O3
Molecular Weight398.90 g/mol
Exact Mass398.18
IUPAC Namefuran-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride
SMILESCCCC(c1nnnn1CCOC)N1CCN(C(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C17H26N6O3.ClH/c1-3-5-14(16-18-19-20-23(16)11-13-25-2)21-7-9-22(10-8-21)17(24)15-6-4-12-26-15;/h4,6,12,14H,3,5,7-11,13H2,1-2H3;1H
InChIKeyKUJFVAYWLOYUSB-UHFFFAOYSA-N
XLogP1.63
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 51.63
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]butyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride (CID 6603074) is furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride is CCCC(c1nnnn1CCOC)N1CCN(C(=O)c2ccco2)CC1.Cl.
What is the InChIKey of furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is KUJFVAYWLOYUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O3.ClH/c1-3-5-14(16-18-19-20-23(16)11-13-25-2)21-7-9-22(10-8-21)17(24)15-6-4-12-26-15;/h4,6,12,14H,3,5,7-11,13H2,1-2H3;1H.
What are the key properties of furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride?
furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 398.90 g/mol, XLogP of 1.63, 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]butyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 6603074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).