3-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid

C23H25N3O5 — CID 134810447

IUPAC3-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OC3CCN(C(=O)COc4ccccc4)CC3)ccc21
InChIInChI=1S/C23H25N3O5/c27-22(16-30-18-4-2-1-3-5-18)25-11-8-19(9-12-25)31-20-6-7-21-17(14-20)15-24-26(21)13-10-23(28)29/h1-7,14-15,19H,8-13,16H2,(H,28,29)
InChIKeyQPRUPEULIMNFCF-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.96
Rot. Bonds8

About 3-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid

3-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid (PubChem CID 134810447) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid
PubChem CID134810447
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name3-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OC3CCN(C(=O)COc4ccccc4)CC3)ccc21
InChIInChI=1S/C23H25N3O5/c27-22(16-30-18-4-2-1-3-5-18)25-11-8-19(9-12-25)31-20-6-7-21-17(14-20)15-24-26(21)13-10-23(28)29/h1-7,14-15,19H,8-13,16H2,(H,28,29)
InChIKeyQPRUPEULIMNFCF-UHFFFAOYSA-N
XLogP2.96
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid (CID 134810447) is 3-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid is O=C(O)CCn1ncc2cc(OC3CCN(C(=O)COc4ccccc4)CC3)ccc21.
What is the InChIKey of 3-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid?
The InChIKey is QPRUPEULIMNFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c27-22(16-30-18-4-2-1-3-5-18)25-11-8-19(9-12-25)31-20-6-7-21-17(14-20)15-24-26(21)13-10-23(28)29/h1-7,14-15,19H,8-13,16H2,(H,28,29).
What are the key properties of 3-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid?
3-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid has a molecular weight of 423.47 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(2-phenoxyacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid is sourced from PubChem (CID 134810447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).