(5-bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone

C17H15BrFN5O2 — CID 46891383

IUPAC(5-bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCCCC1c1nnn(-c2cccc(F)c2)n1
InChIInChI=1S/C17H15BrFN5O2/c18-15-8-7-14(26-15)17(25)23-9-2-1-6-13(23)16-20-22-24(21-16)12-5-3-4-11(19)10-12/h3-5,7-8,10,13H,1-2,6,9H2
InChIKeyMHQDXRYZTJDYMG-UHFFFAOYSA-N
MW420.24 g/mol
LogP3.52
Rot. Bonds3

About (5-bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone

(5-bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 46891383) has the molecular formula C17H15BrFN5O2 and a molecular weight of 420.24 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone
PubChem CID46891383
Molecular FormulaC17H15BrFN5O2
Molecular Weight420.24 g/mol
Exact Mass419.04
IUPAC Name(5-bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCCCC1c1nnn(-c2cccc(F)c2)n1
InChIInChI=1S/C17H15BrFN5O2/c18-15-8-7-14(26-15)17(25)23-9-2-1-6-13(23)16-20-22-24(21-16)12-5-3-4-11(19)10-12/h3-5,7-8,10,13H,1-2,6,9H2
InChIKeyMHQDXRYZTJDYMG-UHFFFAOYSA-N
XLogP3.52
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.24
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone (CID 46891383) is (5-bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone is O=C(c1ccc(Br)o1)N1CCCCC1c1nnn(-c2cccc(F)c2)n1.
What is the InChIKey of (5-bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is MHQDXRYZTJDYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN5O2/c18-15-8-7-14(26-15)17(25)23-9-2-1-6-13(23)16-20-22-24(21-16)12-5-3-4-11(19)10-12/h3-5,7-8,10,13H,1-2,6,9H2.
What are the key properties of (5-bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone?
(5-bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 420.24 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[2-[2-(3-fluorophenyl)tetrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 46891383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).