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

C21H27N3O4 — CID 134811190

IUPAC3-[5-[1-(cyclopentanecarbonyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OC3CCN(C(=O)C4CCCC4)CC3)ccc21
InChIInChI=1S/C21H27N3O4/c25-20(26)9-12-24-19-6-5-18(13-16(19)14-22-24)28-17-7-10-23(11-8-17)21(27)15-3-1-2-4-15/h5-6,13-15,17H,1-4,7-12H2,(H,25,26)
InChIKeyWMIOJEICJDNCQJ-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.07
Rot. Bonds6

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

3-[5-[1-(cyclopentanecarbonyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid (PubChem CID 134811190) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 3-[5-[1-(cyclopentanecarbonyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[1-(cyclopentanecarbonyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid
PubChem CID134811190
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name3-[5-[1-(cyclopentanecarbonyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OC3CCN(C(=O)C4CCCC4)CC3)ccc21
InChIInChI=1S/C21H27N3O4/c25-20(26)9-12-24-19-6-5-18(13-16(19)14-22-24)28-17-7-10-23(11-8-17)21(27)15-3-1-2-4-15/h5-6,13-15,17H,1-4,7-12H2,(H,25,26)
InChIKeyWMIOJEICJDNCQJ-UHFFFAOYSA-N
XLogP3.07
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(cyclopentanecarbonyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[1-(cyclopentanecarbonyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid (CID 134811190) is 3-[5-[1-(cyclopentanecarbonyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[1-(cyclopentanecarbonyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[1-(cyclopentanecarbonyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid is O=C(O)CCn1ncc2cc(OC3CCN(C(=O)C4CCCC4)CC3)ccc21.
What is the InChIKey of 3-[5-[1-(cyclopentanecarbonyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid?
The InChIKey is WMIOJEICJDNCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c25-20(26)9-12-24-19-6-5-18(13-16(19)14-22-24)28-17-7-10-23(11-8-17)21(27)15-3-1-2-4-15/h5-6,13-15,17H,1-4,7-12H2,(H,25,26).
What are the key properties of 3-[5-[1-(cyclopentanecarbonyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid?
3-[5-[1-(cyclopentanecarbonyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid has a molecular weight of 385.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(cyclopentanecarbonyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid is sourced from PubChem (CID 134811190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).