furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone

C22H29N6O2+ — CID 6986222

IUPACfuran-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone
SMILESCC(C)[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H28N6O2/c1-17(2)20(21-23-24-25-28(21)11-10-18-7-4-3-5-8-18)26-12-14-27(15-13-26)22(29)19-9-6-16-30-19/h3-9,16-17,20H,10-15H2,1-2H3/p+1/t20-/m1/s1
InChIKeyJUKZXFVHYONECD-HXUWFJFHSA-O
MW409.51 g/mol
LogP1.25
Rot. Bonds7

About furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone

furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone (PubChem CID 6986222) has the molecular formula C22H29N6O2+ and a molecular weight of 409.51 g/mol. Its IUPAC name is furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone
PubChem CID6986222
Molecular FormulaC22H29N6O2+
Molecular Weight409.51 g/mol
Exact Mass409.23
IUPAC Namefuran-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone
SMILESCC(C)[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H28N6O2/c1-17(2)20(21-23-24-25-28(21)11-10-18-7-4-3-5-8-18)26-12-14-27(15-13-26)22(29)19-9-6-16-30-19/h3-9,16-17,20H,10-15H2,1-2H3/p+1/t20-/m1/s1
InChIKeyJUKZXFVHYONECD-HXUWFJFHSA-O
XLogP1.25
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

furan-2-yl-[4-[(S)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 1449069
furan-2-yl-[4-[(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 3210500
[4-[(1R)-1-(1-benzyltetrazol-5-yl)-3-methylbutyl]piperazin-4-ium-1-yl]-(furan-2-yl)methanone
CID 7224024
furan-2-yl-[4-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]piperazin-4-ium-1-yl]methanone
CID 7391750
4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]thiomorpholin-4-ium
CID 7390833
furan-2-yl-[4-[(1R)-2-methyl-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
CID 1448633
1-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]-4-(pyridin-3-ylmethyl)piperazine-1,4-diium
CID 7389708
[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-benzyltetrazol-5-yl)-(4-chlorophenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3209704
furan-2-yl-[4-[(1S)-1-[1-(3-methylbutyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
CID 1448621
furan-2-yl-[4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-yl]methanone
CID 7391535

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone (CID 6986222) is furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone is CC(C)[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone?
The InChIKey is JUKZXFVHYONECD-HXUWFJFHSA-O. The full InChI is InChI=1S/C22H28N6O2/c1-17(2)20(21-23-24-25-28(21)11-10-18-7-4-3-5-8-18)26-12-14-27(15-13-26)22(29)19-9-6-16-30-19/h3-9,16-17,20H,10-15H2,1-2H3/p+1/t20-/m1/s1.
What are the key properties of furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone?
furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone has a molecular weight of 409.51 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(1R)-2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-4-ium-1-yl]methanone is sourced from PubChem (CID 6986222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).