1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid

C20H23BrN2O3 — CID 5236155

IUPAC1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(Br)cc1C(Cc1ccccn1)N1CCCCC1C(=O)O
InChIInChI=1S/C20H23BrN2O3/c1-26-19-9-8-14(21)12-16(19)18(13-15-6-2-4-10-22-15)23-11-5-3-7-17(23)20(24)25/h2,4,6,8-10,12,17-18H,3,5,7,11,13H2,1H3,(H,24,25)
InChIKeyVORRGXYOASRRCD-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.08
Rot. Bonds6

About 1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid

1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid (PubChem CID 5236155) has the molecular formula C20H23BrN2O3 and a molecular weight of 419.32 g/mol. Its IUPAC name is 1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid
PubChem CID5236155
Molecular FormulaC20H23BrN2O3
Molecular Weight419.32 g/mol
Exact Mass418.09
IUPAC Name1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(Br)cc1C(Cc1ccccn1)N1CCCCC1C(=O)O
InChIInChI=1S/C20H23BrN2O3/c1-26-19-9-8-14(21)12-16(19)18(13-15-6-2-4-10-22-15)23-11-5-3-7-17(23)20(24)25/h2,4,6,8-10,12,17-18H,3,5,7,11,13H2,1H3,(H,24,25)
InChIKeyVORRGXYOASRRCD-UHFFFAOYSA-N
XLogP4.08
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-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

1-[1-(5-bromo-2-ethoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid
CID 4527178
1-[1-(4-ethoxy-3-methoxyphenyl)-2-pyridin-2-ylethyl]pyrrolidine-2-carboxylic acid
CID 5175669
1-[2-pyridin-2-yl-1-[2-(trifluoromethyl)phenyl]ethyl]piperidine-2-carboxylic acid
CID 4269127
1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid
CID 4286493
1-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-pyridin-2-ylethyl]pyrrolidine-2-carboxylic acid
CID 4540367
1-[1-(3,4-diethoxyphenyl)-2-pyridin-2-ylethyl]pyrrolidine-2-carboxylic acid
CID 3930999
1-[(5-bromo-2-methoxyphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4268195
1-[(5-bromo-2-methoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3686880
1-[1-(5-bromo-2-ethoxyphenyl)propyl]pyrrolidine-2-carboxylic acid
CID 4308796
1-[1-(2,5-dimethoxyphenyl)propyl]piperidine-2-carboxylic acid
CID 4559409
1-[(5-bromo-2-ethoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxylic acid
CID 4002773
1-[1,3-benzothiazol-2-yl-(5-bromo-2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 5145154

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid (CID 5236155) is 1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid is COc1ccc(Br)cc1C(Cc1ccccn1)N1CCCCC1C(=O)O.
What is the InChIKey of 1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid?
The InChIKey is VORRGXYOASRRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3/c1-26-19-9-8-14(21)12-16(19)18(13-15-6-2-4-10-22-15)23-11-5-3-7-17(23)20(24)25/h2,4,6,8-10,12,17-18H,3,5,7,11,13H2,1H3,(H,24,25).
What are the key properties of 1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid?
1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid has a molecular weight of 419.32 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-2-methoxyphenyl)-2-pyridin-2-ylethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 5236155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).