furan-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone

C20H25N6O2+ — CID 7391750

IUPACfuran-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone
SMILESCC(C)n1nnnc1[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H24N6O2/c1-15(2)26-19(21-22-23-26)18(16-7-4-3-5-8-16)24-10-12-25(13-11-24)20(27)17-9-6-14-28-17/h3-9,14-15,18H,10-13H2,1-2H3/p+1/t18-/m0/s1
InChIKeyQHOWNFPGZXMSHQ-SFHVURJKSA-O
MW381.46 g/mol
LogP0.98
Rot. Bonds5

About furan-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone

furan-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone (PubChem CID 7391750) has the molecular formula C20H25N6O2+ and a molecular weight of 381.46 g/mol. Its IUPAC name is furan-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone
PubChem CID7391750
Molecular FormulaC20H25N6O2+
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Namefuran-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone
SMILESCC(C)n1nnnc1[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H24N6O2/c1-15(2)26-19(21-22-23-26)18(16-7-4-3-5-8-16)24-10-12-25(13-11-24)20(27)17-9-6-14-28-17/h3-9,14-15,18H,10-13H2,1-2H3/p+1/t18-/m0/s1
InChIKeyQHOWNFPGZXMSHQ-SFHVURJKSA-O
XLogP0.98
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze furan-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone with MolForge

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Related Compounds

furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone
CID 6986222
[4-[(S)-(1-tert-butyltetrazol-5-yl)-[4-(dimethylamino)phenyl]methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 6986020
[4-[(1R)-1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 7224024
furan-2-yl-[4-[(1S)-3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]piperazin-1-yl]methanone
CID 7391736
[4-[(R)-[4-(dimethylamino)phenyl]-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7388621
[4-[(S)-(1-tert-butyltetrazol-5-yl)-(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 7384169
[4-[(R)-(2-fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 7391391
furan-2-yl-[4-[1-(1-propan-2-yltetrazol-5-yl)pentyl]piperazin-1-yl]methanone;hydrochloride
CID 24792463
[4-[(1S)-1-(1-tert-butyltetrazol-5-yl)propyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 7383929
furan-2-yl-[4-[(1R)-3-methyl-1-[1-(2-methylbutan-2-yl)tetrazol-5-yl]butyl]piperazin-4-ium-1-yl]methanone
CID 7384289
[4-[(1-cyclopentyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone chloride
CID 53313729
[4-[(S)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 1442957

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone (CID 7391750) is furan-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone is CC(C)n1nnnc1[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone?
The InChIKey is QHOWNFPGZXMSHQ-SFHVURJKSA-O. The full InChI is InChI=1S/C20H24N6O2/c1-15(2)26-19(21-22-23-26)18(16-7-4-3-5-8-16)24-10-12-25(13-11-24)20(27)17-9-6-14-28-17/h3-9,14-15,18H,10-13H2,1-2H3/p+1/t18-/m0/s1.
What are the key properties of furan-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone?
furan-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone has a molecular weight of 381.46 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone is sourced from PubChem (CID 7391750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).