1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid

C15H17N3O3 — CID 102553180

IUPAC1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Cn2ncc3ccccc32)C1
InChIInChI=1S/C15H17N3O3/c19-14(17-7-3-5-12(9-17)15(20)21)10-18-13-6-2-1-4-11(13)8-16-18/h1-2,4,6,8,12H,3,5,7,9-10H2,(H,20,21)
InChIKeyPQGKKXUUCAKCHU-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.36
Rot. Bonds3

About 1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid

1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid (PubChem CID 102553180) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
PubChem CID102553180
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Cn2ncc3ccccc32)C1
InChIInChI=1S/C15H17N3O3/c19-14(17-7-3-5-12(9-17)15(20)21)10-18-13-6-2-1-4-11(13)8-16-18/h1-2,4,6,8,12H,3,5,7,9-10H2,(H,20,21)
InChIKeyPQGKKXUUCAKCHU-UHFFFAOYSA-N
XLogP1.36
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
CID 111562018
(3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 51974268
5-(azetidin-1-yl)-2-[1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 128974471
5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 129325110
(2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154789058
2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166207781
1-[2-(azepan-1-yl)-2-oxoethyl]indazole-5-carboxylic acid
CID 53206386
1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088823
(3R)-1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-3-carboxylic acid
CID 99633817
1-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324191
1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324189
2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone
CID 97084407

Frequently Asked Questions

What is the IUPAC name of 1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid (CID 102553180) is 1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Cn2ncc3ccccc32)C1.
What is the InChIKey of 1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid?
The InChIKey is PQGKKXUUCAKCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14(17-7-3-5-12(9-17)15(20)21)10-18-13-6-2-1-4-11(13)8-16-18/h1-2,4,6,8,12H,3,5,7,9-10H2,(H,20,21).
What are the key properties of 1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid?
1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 102553180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).