1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic acid

C16H15BrFN3O3 — CID 112707802

IUPAC1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2nccnc2Oc2ccc(Br)cc2F)C1
InChIInChI=1S/C16H15BrFN3O3/c17-11-3-4-13(12(18)8-11)24-15-14(19-5-6-20-15)21-7-1-2-10(9-21)16(22)23/h3-6,8,10H,1-2,7,9H2,(H,22,23)
InChIKeyOGAHKIACUGOLHI-UHFFFAOYSA-N
MW396.22 g/mol
LogP3.47
Rot. Bonds4

About 1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic acid

1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic acid (PubChem CID 112707802) has the molecular formula C16H15BrFN3O3 and a molecular weight of 396.22 g/mol. Its IUPAC name is 1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic acid
PubChem CID112707802
Molecular FormulaC16H15BrFN3O3
Molecular Weight396.22 g/mol
Exact Mass395.03
IUPAC Name1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(c2nccnc2Oc2ccc(Br)cc2F)C1
InChIInChI=1S/C16H15BrFN3O3/c17-11-3-4-13(12(18)8-11)24-15-14(19-5-6-20-15)21-7-1-2-10(9-21)16(22)23/h3-6,8,10H,1-2,7,9H2,(H,22,23)
InChIKeyOGAHKIACUGOLHI-UHFFFAOYSA-N
XLogP3.47
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.22
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic 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

(3R)-N-(4-bromo-2-methylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897295
(3R)-N-(4-bromo-3-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92897343
1-[4-(4-bromophenyl)-3-oxopyrazin-2-yl]piperidine-3-carboxylic acid
CID 112707721
1-[6-(4-bromo-2-fluorophenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
CID 141107691
(3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92897328
1-(4-bromo-2-methylphenyl)piperidine-3-carboxylic acid
CID 117008239
(4-bromo-2-fluorophenyl) 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 9114502
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050455
(3S)-N-(2,5-diethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897300
(3R)-N-(4-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050387
1-[6-bromo-2-(trifluoromethyl)quinazolin-4-yl]piperidine-3-carboxylic acid
CID 21003304
1-[3-(difluoromethoxy)pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048371

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic acid (CID 112707802) is 1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(c2nccnc2Oc2ccc(Br)cc2F)C1.
What is the InChIKey of 1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic acid?
The InChIKey is OGAHKIACUGOLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3O3/c17-11-3-4-13(12(18)8-11)24-15-14(19-5-6-20-15)21-7-1-2-10(9-21)16(22)23/h3-6,8,10H,1-2,7,9H2,(H,22,23).
What are the key properties of 1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic acid?
1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic acid has a molecular weight of 396.22 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromo-2-fluorophenoxy)pyrazin-2-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 112707802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).