3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid

C18H25NO4 — CID 124683557

IUPAC3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid
SMILESCCOc1ccc(CC(=O)N2CCCC[C@@H]2CCC(=O)O)cc1
InChIInChI=1S/C18H25NO4/c1-2-23-16-9-6-14(7-10-16)13-17(20)19-12-4-3-5-15(19)8-11-18(21)22/h6-7,9-10,15H,2-5,8,11-13H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyFRKSPBACEJRUQW-OAHLLOKOSA-N
MW319.40 g/mol
LogP2.87
Rot. Bonds7

About 3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid

3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid (PubChem CID 124683557) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid
PubChem CID124683557
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid
SMILESCCOc1ccc(CC(=O)N2CCCC[C@@H]2CCC(=O)O)cc1
InChIInChI=1S/C18H25NO4/c1-2-23-16-9-6-14(7-10-16)13-17(20)19-12-4-3-5-15(19)8-11-18(21)22/h6-7,9-10,15H,2-5,8,11-13H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyFRKSPBACEJRUQW-OAHLLOKOSA-N
XLogP2.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 60742792
2-(4-ethoxyphenyl)-1-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 61408770
3-[(2S)-1-[2-(4-methylphenoxy)acetyl]piperidin-2-yl]propanoic acid
CID 124696443
3-[(2R)-1-[4-(4-methoxyphenyl)butanoyl]piperidin-2-yl]propanoic acid
CID 124686357
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-ethoxyphenyl)propan-1-one;hydrochloride
CID 119467317
3-(1-octanoylpiperidin-2-yl)propanoic acid
CID 62216598
3-[1-(2-ethoxyacetyl)piperidin-2-yl]propanoic acid
CID 62217281
1-(2-propylpiperidin-1-yl)-2-(4-sulfanylphenyl)ethanone
CID 107033944
2-(4-ethoxyphenyl)-1-[(2R)-2-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 92593704
1-[2-(aminomethyl)piperidin-1-yl]-4-(4-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119466604
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid (CID 124683557) is 3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid is CCOc1ccc(CC(=O)N2CCCC[C@@H]2CCC(=O)O)cc1.
What is the InChIKey of 3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid?
The InChIKey is FRKSPBACEJRUQW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25NO4/c1-2-23-16-9-6-14(7-10-16)13-17(20)19-12-4-3-5-15(19)8-11-18(21)22/h6-7,9-10,15H,2-5,8,11-13H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of 3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid?
3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid has a molecular weight of 319.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124683557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).