2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid

C14H15BrFNO3 — CID 115909676

IUPAC2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2c(F)cccc2Br)CC1
InChIInChI=1S/C14H15BrFNO3/c15-10-2-1-3-11(16)13(10)14(20)17-6-4-9(5-7-17)8-12(18)19/h1-3,9H,4-8H2,(H,18,19)
InChIKeySGCSKFPDCVCOAZ-UHFFFAOYSA-N
MW344.18 g/mol
LogP2.92
Rot. Bonds3

About 2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid

2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid (PubChem CID 115909676) has the molecular formula C14H15BrFNO3 and a molecular weight of 344.18 g/mol. Its IUPAC name is 2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid
PubChem CID115909676
Molecular FormulaC14H15BrFNO3
Molecular Weight344.18 g/mol
Exact Mass343.02
IUPAC Name2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)c2c(F)cccc2Br)CC1
InChIInChI=1S/C14H15BrFNO3/c15-10-2-1-3-11(16)13(10)14(20)17-6-4-9(5-7-17)8-12(18)19/h1-3,9H,4-8H2,(H,18,19)
InChIKeySGCSKFPDCVCOAZ-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,6-difluorobenzoyl)azepan-4-yl]acetic acid
CID 120950031
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(2-bromo-6-fluorophenyl)methanone
CID 124569711
[4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone
CID 114561107
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-2-yl]acetic acid
CID 114558491
(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 115772825
(2-bromo-6-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 113250757
(2-bromo-6-fluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 113251014
1-(2-bromo-6-fluorophenyl)-2-cyclopentylethanone
CID 114885274
(2-bromo-6-fluorophenyl)-[4-(2-chloroethyl)piperazin-1-yl]methanone
CID 114560996
2-[1-(2-chloro-4,5-difluorobenzoyl)piperidin-4-yl]acetic acid
CID 78979755
2-[1-(2,5-dibromobenzoyl)piperidin-4-yl]acetic acid
CID 114368157
2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid
CID 119178221

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid (CID 115909676) is 2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)c2c(F)cccc2Br)CC1.
What is the InChIKey of 2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid?
The InChIKey is SGCSKFPDCVCOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFNO3/c15-10-2-1-3-11(16)13(10)14(20)17-6-4-9(5-7-17)8-12(18)19/h1-3,9H,4-8H2,(H,18,19).
What are the key properties of 2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid?
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid has a molecular weight of 344.18 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromo-6-fluorobenzoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 115909676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).