[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate

C17H19N3O5 — CID 2085622

IUPAC[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C17H19N3O5/c1-24-16(22)11-6-8-20(9-7-11)14(21)10-25-17(23)15-12-4-2-3-5-13(12)18-19-15/h2-5,11H,6-10H2,1H3,(H,18,19)
InChIKeyTWHKOVAHESXCKC-UHFFFAOYSA-N
MW345.36 g/mol
LogP1.13
Rot. Bonds4

About [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate

[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2085622) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2085622
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C17H19N3O5/c1-24-16(22)11-6-8-20(9-7-11)14(21)10-25-17(23)15-12-4-2-3-5-13(12)18-19-15/h2-5,11H,6-10H2,1H3,(H,18,19)
InChIKeyTWHKOVAHESXCKC-UHFFFAOYSA-N
XLogP1.13
TPSA101.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate 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 [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2085622) is [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate is COC(=O)C1CCN(C(=O)COC(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is TWHKOVAHESXCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-24-16(22)11-6-8-20(9-7-11)14(21)10-25-17(23)15-12-4-2-3-5-13(12)18-19-15/h2-5,11H,6-10H2,1H3,(H,18,19).
What are the key properties of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 345.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2085622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).