1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid

C15H20N2O4 — CID 62657041

IUPAC1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COCCc2ccccn2)CC1
InChIInChI=1S/C15H20N2O4/c18-14(17-8-4-12(5-9-17)15(19)20)11-21-10-6-13-3-1-2-7-16-13/h1-3,7,12H,4-6,8-11H2,(H,19,20)
InChIKeyWEMMDZZMHGFOSV-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.96
Rot. Bonds6

About 1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid

1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid (PubChem CID 62657041) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid
PubChem CID62657041
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COCCc2ccccn2)CC1
InChIInChI=1S/C15H20N2O4/c18-14(17-8-4-12(5-9-17)15(19)20)11-21-10-6-13-3-1-2-7-16-13/h1-3,7,12H,4-6,8-11H2,(H,19,20)
InChIKeyWEMMDZZMHGFOSV-UHFFFAOYSA-N
XLogP0.96
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-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-[2-(2-phenoxyethoxy)acetyl]piperidine-4-carboxylic acid
CID 119166059
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
2-(2-aminoethoxy)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 79473756
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
1-[2-[(2-fluorophenyl)methoxy]acetyl]piperidine-4-carboxylic acid
CID 63934028
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
1-[2-(pyridine-2-carbonylamino)acetyl]piperidine-4-carboxylic acid
CID 119349505
4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid
CID 69023524
1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
CID 103400775
1-[(E)-3-phenylprop-2-enoyl]-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 24644222

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid (CID 62657041) is 1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)COCCc2ccccn2)CC1.
What is the InChIKey of 1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid?
The InChIKey is WEMMDZZMHGFOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-14(17-8-4-12(5-9-17)15(19)20)11-21-10-6-13-3-1-2-7-16-13/h1-3,7,12H,4-6,8-11H2,(H,19,20).
What are the key properties of 1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid?
1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-pyridin-2-ylethoxy)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 62657041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).