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

C20H25N3O4 — CID 134810257

IUPAC3-[5-[1-(2-cyclopropylacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OC3CCN(C(=O)CC4CC4)CC3)ccc21
InChIInChI=1S/C20H25N3O4/c24-19(11-14-1-2-14)22-8-5-16(6-9-22)27-17-3-4-18-15(12-17)13-21-23(18)10-7-20(25)26/h3-4,12-14,16H,1-2,5-11H2,(H,25,26)
InChIKeyYVXMJQQJWRVDNA-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.68
Rot. Bonds7

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

3-[5-[1-(2-cyclopropylacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid (PubChem CID 134810257) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 3-[5-[1-(2-cyclopropylacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[1-(2-cyclopropylacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid
PubChem CID134810257
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name3-[5-[1-(2-cyclopropylacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid
SMILESO=C(O)CCn1ncc2cc(OC3CCN(C(=O)CC4CC4)CC3)ccc21
InChIInChI=1S/C20H25N3O4/c24-19(11-14-1-2-14)22-8-5-16(6-9-22)27-17-3-4-18-15(12-17)13-21-23(18)10-7-20(25)26/h3-4,12-14,16H,1-2,5-11H2,(H,25,26)
InChIKeyYVXMJQQJWRVDNA-UHFFFAOYSA-N
XLogP2.68
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyloxy-1-methylindazole
CID 130057460
1-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
CID 95751410
3-indazol-1-ylpropanoic acid
CID 805922
4-naphthalen-2-yloxypiperidine-1-carboxylic acid
CID 18423340
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70729575
2-cyclopropyl-1-[4-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121161498
2-(2,3-dihydro-1H-inden-2-yl)-1-[4-(4-fluorophenoxy)piperidin-1-yl]ethanone
CID 134230783
1-[4-(3-fluorophenoxy)piperidin-1-yl]-2-[(3R)-oxan-3-yl]ethanone
CID 125165130
3-[5-[[4-(2-chloro-4-methoxyphenyl)phenyl]methoxy]indazol-1-yl]propanoic acid
CID 134807310
1-[2-[4-(3-bromophenoxy)piperidin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120551558
2-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121160781
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680

Frequently Asked Questions

What is the IUPAC name of 3-[5-[1-(2-cyclopropylacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid?
The IUPAC name of 3-[5-[1-(2-cyclopropylacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid (CID 134810257) is 3-[5-[1-(2-cyclopropylacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[1-(2-cyclopropylacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[1-(2-cyclopropylacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid is O=C(O)CCn1ncc2cc(OC3CCN(C(=O)CC4CC4)CC3)ccc21.
What is the InChIKey of 3-[5-[1-(2-cyclopropylacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid?
The InChIKey is YVXMJQQJWRVDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c24-19(11-14-1-2-14)22-8-5-16(6-9-22)27-17-3-4-18-15(12-17)13-21-23(18)10-7-20(25)26/h3-4,12-14,16H,1-2,5-11H2,(H,25,26).
What are the key properties of 3-[5-[1-(2-cyclopropylacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid?
3-[5-[1-(2-cyclopropylacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid has a molecular weight of 371.44 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[1-(2-cyclopropylacetyl)piperidin-4-yl]oxyindazol-1-yl]propanoic acid is sourced from PubChem (CID 134810257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).