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

C22H28N6O2 — CID 648125

IUPACfuran-2-yl-[4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
SMILESCC(C)C(c1nnnn1CCc1ccccc1)N1CCN(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
InChIKeyJUKZXFVHYONECD-UHFFFAOYSA-N
MW408.51 g/mol
LogP2.66
Rot. Bonds7

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

furan-2-yl-[4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone (PubChem CID 648125) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is furan-2-yl-[4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
PubChem CID648125
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Namefuran-2-yl-[4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone
SMILESCC(C)C(c1nnnn1CCc1ccccc1)N1CCN(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
InChIKeyJUKZXFVHYONECD-UHFFFAOYSA-N
XLogP2.66
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone (CID 648125) is furan-2-yl-[4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone is CC(C)C(c1nnnn1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
The InChIKey is JUKZXFVHYONECD-UHFFFAOYSA-N. 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.
What are the key properties of furan-2-yl-[4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone has a molecular weight of 408.51 g/mol, XLogP of 2.66, 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-[2-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 648125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).