2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid

C16H17BrFN3O3 — CID 146134871

IUPAC2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid
SMILESCc1noc(C2CCCN(C(C(=O)O)c3ccc(Br)cc3F)C2)n1
InChIInChI=1S/C16H17BrFN3O3/c1-9-19-15(24-20-9)10-3-2-6-21(8-10)14(16(22)23)12-5-4-11(17)7-13(12)18/h4-5,7,10,14H,2-3,6,8H2,1H3,(H,22,23)
InChIKeyOGQKIPVJGSISQG-UHFFFAOYSA-N
MW398.23 g/mol
LogP3.28
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid

2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid (PubChem CID 146134871) has the molecular formula C16H17BrFN3O3 and a molecular weight of 398.23 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid
PubChem CID146134871
Molecular FormulaC16H17BrFN3O3
Molecular Weight398.23 g/mol
Exact Mass397.04
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid
SMILESCc1noc(C2CCCN(C(C(=O)O)c3ccc(Br)cc3F)C2)n1
InChIInChI=1S/C16H17BrFN3O3/c1-9-19-15(24-20-9)10-3-2-6-21(8-10)14(16(22)23)12-5-4-11(17)7-13(12)18/h4-5,7,10,14H,2-3,6,8H2,1H3,(H,22,23)
InChIKeyOGQKIPVJGSISQG-UHFFFAOYSA-N
XLogP3.28
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.23
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-cyclopropyl-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenylacetamide
CID 98857991
2-(azepan-1-yl)-2-(4-bromo-2-fluorophenyl)acetic acid
CID 54914947
2-(4-bromo-2-fluorophenyl)-2-[3-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 167833708
(3S)-N-[(1R)-1-(3-fluoro-4-pyridinyl)ethyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 124744324
(2R)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 124859531
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 71939627
(5-bromo-3-pyridinyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 51120868
(7-fluoroquinoxalin-6-yl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 125139632
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866
(4,5-dichloro-1-methylpyrrol-2-yl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94526643
(2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 94455628

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid (CID 146134871) is 2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid is Cc1noc(C2CCCN(C(C(=O)O)c3ccc(Br)cc3F)C2)n1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid?
The InChIKey is OGQKIPVJGSISQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3O3/c1-9-19-15(24-20-9)10-3-2-6-21(8-10)14(16(22)23)12-5-4-11(17)7-13(12)18/h4-5,7,10,14H,2-3,6,8H2,1H3,(H,22,23).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid?
2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid has a molecular weight of 398.23 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 146134871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).