[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate

C17H21N3O3 — CID 3648732

IUPAC[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCCC1CCCCN1C(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H21N3O3/c1-2-12-7-5-6-10-20(12)15(21)11-23-17(22)16-13-8-3-4-9-14(13)18-19-16/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,18,19)
InChIKeyKZIFYLLSLGKPRP-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.51
Rot. Bonds4

About [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate

[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 3648732) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID3648732
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCCC1CCCCN1C(=O)COC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C17H21N3O3/c1-2-12-7-5-6-10-20(12)15(21)11-23-17(22)16-13-8-3-4-9-14(13)18-19-16/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,18,19)
InChIKeyKZIFYLLSLGKPRP-UHFFFAOYSA-N
XLogP2.51
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 3648732) is [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate is CCC1CCCCN1C(=O)COC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is KZIFYLLSLGKPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-12-7-5-6-10-20(12)15(21)11-23-17(22)16-13-8-3-4-9-14(13)18-19-16/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,18,19).
What are the key properties of [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 3648732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).