2-[2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid

C26H32N2O4 — CID 11430513

IUPAC2-[2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESCCOCCn1cc(C2CCN(Cc3ccccc3OCC(=O)O)CC2)c2ccccc21
InChIInChI=1S/C26H32N2O4/c1-2-31-16-15-28-18-23(22-8-4-5-9-24(22)28)20-11-13-27(14-12-20)17-21-7-3-6-10-25(21)32-19-26(29)30/h3-10,18,20H,2,11-17,19H2,1H3,(H,29,30)
InChIKeyQEABMFNRUQJING-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.52
Rot. Bonds10

About 2-[2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid

2-[2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid (PubChem CID 11430513) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is 2-[2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid
PubChem CID11430513
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name2-[2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid
SMILESCCOCCn1cc(C2CCN(Cc3ccccc3OCC(=O)O)CC2)c2ccccc21
InChIInChI=1S/C26H32N2O4/c1-2-31-16-15-28-18-23(22-8-4-5-9-24(22)28)20-11-13-27(14-12-20)17-21-7-3-6-10-25(21)32-19-26(29)30/h3-10,18,20H,2,11-17,19H2,1H3,(H,29,30)
InChIKeyQEABMFNRUQJING-UHFFFAOYSA-N
XLogP4.52
TPSA63.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid (CID 11430513) is 2-[2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid is CCOCCn1cc(C2CCN(Cc3ccccc3OCC(=O)O)CC2)c2ccccc21.
What is the InChIKey of 2-[2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid?
The InChIKey is QEABMFNRUQJING-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-2-31-16-15-28-18-23(22-8-4-5-9-24(22)28)20-11-13-27(14-12-20)17-21-7-3-6-10-25(21)32-19-26(29)30/h3-10,18,20H,2,11-17,19H2,1H3,(H,29,30).
What are the key properties of 2-[2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid?
2-[2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid has a molecular weight of 436.55 g/mol, XLogP of 4.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid is sourced from PubChem (CID 11430513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).