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

C19H31ClN6O2 — CID 24793484

IUPACfuran-2-yl-[4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride
SMILESCCCC(c1nnnn1C(C)(C)CC)N1CCN(C(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C19H30N6O2.ClH/c1-5-8-15(17-20-21-22-25(17)19(3,4)6-2)23-10-12-24(13-11-23)18(26)16-9-7-14-27-16;/h7,9,14-15H,5-6,8,10-13H2,1-4H3;1H
InChIKeyDPHATVWCUIWZRZ-UHFFFAOYSA-N
MW410.95 g/mol
LogP3.13
Rot. Bonds7

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

furan-2-yl-[4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 24793484) has the molecular formula C19H31ClN6O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is furan-2-yl-[4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namefuran-2-yl-[4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID24793484
Molecular FormulaC19H31ClN6O2
Molecular Weight410.95 g/mol
Exact Mass410.22
IUPAC Namefuran-2-yl-[4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride
SMILESCCCC(c1nnnn1C(C)(C)CC)N1CCN(C(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C19H30N6O2.ClH/c1-5-8-15(17-20-21-22-25(17)19(3,4)6-2)23-10-12-24(13-11-23)18(26)16-9-7-14-27-16;/h7,9,14-15H,5-6,8,10-13H2,1-4H3;1H
InChIKeyDPHATVWCUIWZRZ-UHFFFAOYSA-N
XLogP3.13
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze furan-2-yl-[4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

{4-[1-(1-Cyclohexyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 24792460
1-[4-(2-Furylcarbonyl)piperazinyl]-2-(1-methyl(1,2,3,4-tetraazol-5-ylthio))eth an-1-one
CID 1081022
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]furan-2-carboxamide
CID 6499832
1-Cyclopentyl-4-[1-(1-furan-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 644666
Furan-2-yl-(4-{[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazin-1-yl)-methanone
CID 648836
Furan-2-yl-{4-[3-methyl-1-(1-phenethyl-1H-tetrazol-5-yl)-butyl]-piperazin-1-yl}-methanone
CID 650696
(4-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-2-methyl-propyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 651772
(4-{(4-Chloro-phenyl)-[1-(tetrahydro-furan-2-ylmethyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655364
(4-{(4-Fluoro-phenyl)-[1-(3-methyl-butyl)-1H-tetrazol-5-yl]-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 655575
2-(1-Cyclohexyltetrazol-5-yl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 1440841
1-[4-(Furan-2-carbonyl)-piperazin-1-yl]-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-ethanone
CID 1452362
(4-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-p-tolyl-methyl}-piperazin-1-yl)-furan-2-yl-methanone
CID 3209098

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of furan-2-yl-[4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride (CID 24793484) is furan-2-yl-[4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for furan-2-yl-[4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for furan-2-yl-[4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride is CCCC(c1nnnn1C(C)(C)CC)N1CCN(C(=O)c2ccco2)CC1.Cl.
What is the InChIKey of furan-2-yl-[4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is DPHATVWCUIWZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2.ClH/c1-5-8-15(17-20-21-22-25(17)19(3,4)6-2)23-10-12-24(13-11-23)18(26)16-9-7-14-27-16;/h7,9,14-15H,5-6,8,10-13H2,1-4H3;1H.
What are the key properties of furan-2-yl-[4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride?
furan-2-yl-[4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 410.95 g/mol, XLogP of 3.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 24793484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).