2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid

C17H25NO4 — CID 117239780

IUPAC2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid
SMILESCCN1CCC(C(COc2cccc(OC)c2)C(=O)O)CC1
InChIInChI=1S/C17H25NO4/c1-3-18-9-7-13(8-10-18)16(17(19)20)12-22-15-6-4-5-14(11-15)21-2/h4-6,11,13,16H,3,7-10,12H2,1-2H3,(H,19,20)
InChIKeyPWERAMDEIBTVEO-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.51
Rot. Bonds7

About 2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid

2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid (PubChem CID 117239780) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid
PubChem CID117239780
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid
SMILESCCN1CCC(C(COc2cccc(OC)c2)C(=O)O)CC1
InChIInChI=1S/C17H25NO4/c1-3-18-9-7-13(8-10-18)16(17(19)20)12-22-15-6-4-5-14(11-15)21-2/h4-6,11,13,16H,3,7-10,12H2,1-2H3,(H,19,20)
InChIKeyPWERAMDEIBTVEO-UHFFFAOYSA-N
XLogP2.51
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic 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

2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid
CID 117238296
2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
CID 117239836
3-(3-methoxyphenoxy)-2-(thiolan-3-yl)propanoic acid
CID 117238346
2-cyclobutyl-3-(3-methylphenoxy)propanoic acid
CID 117245719
(2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 737489
2-cyclohexyl-3-(3-methylphenoxy)propanoic acid
CID 117246044
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737
2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117245508
2-amino-2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 83980971
3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239821
3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239763
3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239350

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid (CID 117239780) is 2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid is CCN1CCC(C(COc2cccc(OC)c2)C(=O)O)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid?
The InChIKey is PWERAMDEIBTVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-3-18-9-7-13(8-10-18)16(17(19)20)12-22-15-6-4-5-14(11-15)21-2/h4-6,11,13,16H,3,7-10,12H2,1-2H3,(H,19,20).
What are the key properties of 2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid?
2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid is sourced from PubChem (CID 117239780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).