2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid

C12H14BrNO5 — CID 63869212

IUPAC2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C12H14BrNO5/c13-10-2-1-9(19-10)12(17)14-5-3-8(4-6-14)18-7-11(15)16/h1-2,8H,3-7H2,(H,15,16)
InChIKeyZMWGLGNDIQGFCH-UHFFFAOYSA-N
MW332.15 g/mol
LogP1.75
Rot. Bonds4

About 2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid

2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63869212) has the molecular formula C12H14BrNO5 and a molecular weight of 332.15 g/mol. Its IUPAC name is 2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid
PubChem CID63869212
Molecular FormulaC12H14BrNO5
Molecular Weight332.15 g/mol
Exact Mass331.01
IUPAC Name2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C12H14BrNO5/c13-10-2-1-9(19-10)12(17)14-5-3-8(4-6-14)18-7-11(15)16/h1-2,8H,3-7H2,(H,15,16)
InChIKeyZMWGLGNDIQGFCH-UHFFFAOYSA-N
XLogP1.75
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromofuran-2-yl)-[4-(bromomethyl)piperidin-1-yl]methanone
CID 80678565
2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870210
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
CID 84581067
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869906
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 106839225
2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870882
(5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566406
(5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone
CID 49008152
(5-bromofuran-2-yl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 119100656

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid (CID 63869212) is 2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of 2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is ZMWGLGNDIQGFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO5/c13-10-2-1-9(19-10)12(17)14-5-3-8(4-6-14)18-7-11(15)16/h1-2,8H,3-7H2,(H,15,16).
What are the key properties of 2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid?
2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 332.15 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63869212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).