2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid

C14H15BrFNO4 — CID 63869208

IUPAC2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C14H15BrFNO4/c15-10-5-9(6-11(16)7-10)14(20)17-3-1-12(2-4-17)21-8-13(18)19/h5-7,12H,1-4,8H2,(H,18,19)
InChIKeyORVIPNOIXKHNSY-UHFFFAOYSA-N
MW360.18 g/mol
LogP2.29
Rot. Bonds4

About 2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid

2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid (PubChem CID 63869208) has the molecular formula C14H15BrFNO4 and a molecular weight of 360.18 g/mol. Its IUPAC name is 2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
PubChem CID63869208
Molecular FormulaC14H15BrFNO4
Molecular Weight360.18 g/mol
Exact Mass359.02
IUPAC Name2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)c2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C14H15BrFNO4/c15-10-5-9(6-11(16)7-10)14(20)17-3-1-12(2-4-17)21-8-13(18)19/h5-7,12H,1-4,8H2,(H,18,19)
InChIKeyORVIPNOIXKHNSY-UHFFFAOYSA-N
XLogP2.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-fluorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 63390803
2-[1-(3,5-dichlorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870230
2-[1-(5-bromo-2-fluorobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870882
2-[[(4R)-1-(3-bromo-5-fluorobenzoyl)azepan-4-yl]-methylamino]acetic acid
CID 129399231
(3-bromo-5-methylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 113460719
[4-(1-aminoethyl)piperidin-1-yl]-(3-bromo-5-fluorophenyl)methanone
CID 55216485
2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869906
(3-aminopyrrolidin-1-yl)-(3-bromo-5-fluorophenyl)methanone
CID 62067197
2-[1-(2-bromobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63870210
2-[1-(2-chloropyridine-4-carbonyl)piperidin-4-yl]oxyacetic acid
CID 107526554
(3-bromo-5-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 103899120
1-(3-bromo-5-fluorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251432

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid (CID 63869208) is 2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)c2cc(F)cc(Br)c2)CC1.
What is the InChIKey of 2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid?
The InChIKey is ORVIPNOIXKHNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO4/c15-10-5-9(6-11(16)7-10)14(20)17-3-1-12(2-4-17)21-8-13(18)19/h5-7,12H,1-4,8H2,(H,18,19).
What are the key properties of 2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid?
2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid has a molecular weight of 360.18 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-bromo-5-fluorobenzoyl)piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63869208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).