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

C24H27N3O5 — CID 134811200

IUPAC3-[5-[[1-(2-phenoxyacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OCC3CCN(C(=O)COc4ccccc4)CC3)ccc21
InChIInChI=1S/C24H27N3O5/c28-23(17-32-20-4-2-1-3-5-20)26-11-8-18(9-12-26)16-31-21-6-7-22-19(14-21)15-25-27(22)13-10-24(29)30/h1-7,14-15,18H,8-13,16-17H2,(H,29,30)
InChIKeyKHBGFSHKNZZFAB-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.21
Rot. Bonds9

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

3-[5-[[1-(2-phenoxyacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid (PubChem CID 134811200) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-[5-[[1-(2-phenoxyacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[[1-(2-phenoxyacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid
PubChem CID134811200
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Name3-[5-[[1-(2-phenoxyacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OCC3CCN(C(=O)COc4ccccc4)CC3)ccc21
InChIInChI=1S/C24H27N3O5/c28-23(17-32-20-4-2-1-3-5-20)26-11-8-18(9-12-26)16-31-21-6-7-22-19(14-21)15-25-27(22)13-10-24(29)30/h1-7,14-15,18H,8-13,16-17H2,(H,29,30)
InChIKeyKHBGFSHKNZZFAB-UHFFFAOYSA-N
XLogP3.21
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-[[1-(2-phenoxyacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[1-(2-phenoxyacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[[1-(2-phenoxyacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid (CID 134811200) is 3-[5-[[1-(2-phenoxyacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[[1-(2-phenoxyacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[[1-(2-phenoxyacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid is O=C(O)CCn1ncc2cc(OCC3CCN(C(=O)COc4ccccc4)CC3)ccc21.
What is the InChIKey of 3-[5-[[1-(2-phenoxyacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid?
The InChIKey is KHBGFSHKNZZFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c28-23(17-32-20-4-2-1-3-5-20)26-11-8-18(9-12-26)16-31-21-6-7-22-19(14-21)15-25-27(22)13-10-24(29)30/h1-7,14-15,18H,8-13,16-17H2,(H,29,30).
What are the key properties of 3-[5-[[1-(2-phenoxyacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid?
3-[5-[[1-(2-phenoxyacetyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid has a molecular weight of 437.50 g/mol, XLogP of 3.21, 9 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]methoxy]indazol-1-yl]propanoic acid is sourced from PubChem (CID 134811200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).