2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid

C17H23NO5 — CID 119163920

IUPAC2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid
SMILESCCOc1ccccc1OCC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C17H23NO5/c1-2-22-14-5-3-4-6-15(14)23-12-16(19)18-9-7-13(8-10-18)11-17(20)21/h3-6,13H,2,7-12H2,1H3,(H,20,21)
InChIKeyCSFOUPRWSPHNIF-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.18
Rot. Bonds7

About 2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid

2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid (PubChem CID 119163920) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is 2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid
PubChem CID119163920
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid
SMILESCCOc1ccccc1OCC(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C17H23NO5/c1-2-22-14-5-3-4-6-15(14)23-12-16(19)18-9-7-13(8-10-18)11-17(20)21/h3-6,13H,2,7-12H2,1H3,(H,20,21)
InChIKeyCSFOUPRWSPHNIF-UHFFFAOYSA-N
XLogP2.18
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(2-ethoxyphenoxy)acetyl]azetidin-3-yl]acetic acid
CID 64603134
2-[1-[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]piperidin-4-yl]acetic acid
CID 120515457
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 108568632
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555092
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 106671784
2-[1-[2-(2-chloro-4-phenylphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119178255
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 108534050
1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 119378361
2-(2-aminophenoxy)-1-(4-ethylpiperidin-1-yl)ethanone
CID 61115282
1-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 48866992
2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid
CID 78979812

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid (CID 119163920) is 2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid is CCOc1ccccc1OCC(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid?
The InChIKey is CSFOUPRWSPHNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO5/c1-2-22-14-5-3-4-6-15(14)23-12-16(19)18-9-7-13(8-10-18)11-17(20)21/h3-6,13H,2,7-12H2,1H3,(H,20,21).
What are the key properties of 2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid?
2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid has a molecular weight of 321.37 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119163920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).