(5-bromofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C14H14BrN3O2 — CID 848259

IUPAC(5-bromofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H14BrN3O2/c15-12-5-4-11(20-12)14(19)18-9-7-17(8-10-18)13-3-1-2-6-16-13/h1-6H,7-10H2
InChIKeyXTEDJKUSPUSPOQ-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.40
Rot. Bonds2

About (5-bromofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(5-bromofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 848259) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID848259
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name(5-bromofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Br)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H14BrN3O2/c15-12-5-4-11(20-12)14(19)18-9-7-17(8-10-18)13-3-1-2-6-16-13/h1-6H,7-10H2
InChIKeyXTEDJKUSPUSPOQ-UHFFFAOYSA-N
XLogP2.40
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 848259) is (5-bromofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(Br)o1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (5-bromofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XTEDJKUSPUSPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-12-5-4-11(20-12)14(19)18-9-7-17(8-10-18)13-3-1-2-6-16-13/h1-6H,7-10H2.
What are the key properties of (5-bromofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(5-bromofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 336.19 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 848259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).