2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

C26H32N2O4 — CID 11282005

IUPAC2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
SMILESCCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C26H32N2O4/c1-2-31-17-16-28-19-23(21-7-3-5-9-24(21)28)20-11-13-27(14-12-20)15-18-32-25-10-6-4-8-22(25)26(29)30/h3-10,19-20H,2,11-18H2,1H3,(H,29,30)
InChIKeyQSOACFIAXDGTQW-UHFFFAOYSA-N
MW436.55 g/mol
LogP4.63
Rot. Bonds10

About 2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid

2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid (PubChem CID 11282005) 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]ethoxy]benzoic acid.

Molecular Properties

Compound Name2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
PubChem CID11282005
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC Name2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
SMILESCCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21
InChIInChI=1S/C26H32N2O4/c1-2-31-17-16-28-19-23(21-7-3-5-9-24(21)28)20-11-13-27(14-12-20)15-18-32-25-10-6-4-8-22(25)26(29)30/h3-10,19-20H,2,11-18H2,1H3,(H,29,30)
InChIKeyQSOACFIAXDGTQW-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
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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Related Compounds

3,5-dibromo-2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 11238716
2-[2-[4-[1-(pyridin-4-ylmethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 10115186
methyl 2-[2-[4-[1-(2-ethoxyethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-yl]ethoxy]benzoate
CID 68894902
2-[2-[4-[1-(2-ethoxyethyl)-5-fluoroindol-3-yl]piperidin-1-yl]ethoxy]-4-methoxybenzoic acid;2-[2-[4-[1-(2-ethoxyethyl)-7-methylindol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 159698935
2-[4-[3-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]propoxy]phenyl]acetic acid
CID 23444838
2-[2-[4-[1-(1-propan-2-yloxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 57099934
2-[2-[4-[7-bromo-1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]-5-methylbenzoic acid
CID 23444918
2-[2-[4-[1-[1-(1,3-dioxolan-2-yl)ethyl]indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 91563968
2-[4-[[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]methyl]phenoxy]acetic acid
CID 11259138
3,5-dibromo-2-[2-[4-[5-bromo-1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 23444886
1-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 24720536
2-[3-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]phenyl]acetic acid;2-[3-[3-[4-[1-(3-methylbutyl)indol-3-yl]piperidin-1-yl]propoxy]phenyl]acetic acid
CID 158898592

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid?
The IUPAC name of 2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid (CID 11282005) is 2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid.
What is the SMILES notation for 2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid?
The canonical SMILES for 2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid is CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2ccccc21.
What is the InChIKey of 2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid?
The InChIKey is QSOACFIAXDGTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-2-31-17-16-28-19-23(21-7-3-5-9-24(21)28)20-11-13-27(14-12-20)15-18-32-25-10-6-4-8-22(25)26(29)30/h3-10,19-20H,2,11-18H2,1H3,(H,29,30).
What are the key properties of 2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid?
2-[2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]ethoxy]benzoic acid has a molecular weight of 436.55 g/mol, XLogP of 4.63, 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]ethoxy]benzoic acid is sourced from PubChem (CID 11282005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).