furan-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride

C18H29ClN6O2 — CID 24792463

IUPACfuran-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride
SMILESCCCCC(c1nnnn1C(C)C)N1CCN(C(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C18H28N6O2.ClH/c1-4-5-7-15(17-19-20-21-24(17)14(2)3)22-9-11-23(12-10-22)18(25)16-8-6-13-26-16;/h6,8,13-15H,4-5,7,9-12H2,1-3H3;1H
InChIKeyAEZQCBYEUQGEHJ-UHFFFAOYSA-N
MW396.92 g/mol
LogP2.96
Rot. Bonds7

About furan-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride

furan-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 24792463) has the molecular formula C18H29ClN6O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is furan-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namefuran-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride
PubChem CID24792463
Molecular FormulaC18H29ClN6O2
Molecular Weight396.92 g/mol
Exact Mass396.20
IUPAC Namefuran-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride
SMILESCCCCC(c1nnnn1C(C)C)N1CCN(C(=O)c2ccco2)CC1.Cl
InChIInChI=1S/C18H28N6O2.ClH/c1-4-5-7-15(17-19-20-21-24(17)14(2)3)22-9-11-23(12-10-22)18(25)16-8-6-13-26-16;/h6,8,13-15H,4-5,7,9-12H2,1-3H3;1H
InChIKeyAEZQCBYEUQGEHJ-UHFFFAOYSA-N
XLogP2.96
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze furan-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

furan-2-yl-[4-[(1S)-3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazin-1-yl]methanone
CID 7391736
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-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7396290
furan-2-yl-[4-[(1S)-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 1444298
[4-[(R)-[4-(dimethylamino)phenyl]-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7388621
furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
CID 1448621
[4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209780
furan-2-yl-[4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 1446743
furan-2-yl-[4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 1446745
[4-[(1S)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1443764
[4-[(1S)-1-(1-benzyltetrazol-5-yl)propyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1445983

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of furan-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride (CID 24792463) is furan-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for furan-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for furan-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride is CCCCC(c1nnnn1C(C)C)N1CCN(C(=O)c2ccco2)CC1.Cl.
What is the InChIKey of furan-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is AEZQCBYEUQGEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2.ClH/c1-4-5-7-15(17-19-20-21-24(17)14(2)3)22-9-11-23(12-10-22)18(25)16-8-6-13-26-16;/h6,8,13-15H,4-5,7,9-12H2,1-3H3;1H.
What are the key properties of furan-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride?
furan-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 2.96, 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-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 24792463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).