ethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate

C16H20N4O3 — CID 5308265

IUPACethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2ncc3ccccc32)CC1
InChIInChI=1S/C16H20N4O3/c1-2-23-16(22)19-9-7-18(8-10-19)15(21)12-20-14-6-4-3-5-13(14)11-17-20/h3-6,11H,2,7-10,12H2,1H3
InChIKeyJRLKQIXGHJUHMF-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.34
Rot. Bonds3

About ethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate

ethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate (PubChem CID 5308265) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate
PubChem CID5308265
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Nameethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2ncc3ccccc32)CC1
InChIInChI=1S/C16H20N4O3/c1-2-23-16(22)19-9-7-18(8-10-19)15(21)12-20-14-6-4-3-5-13(14)11-17-20/h3-6,11H,2,7-10,12H2,1H3
InChIKeyJRLKQIXGHJUHMF-UHFFFAOYSA-N
XLogP1.34
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(2-indazol-1-ylacetyl)piperazine-1-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 ethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate (CID 5308265) is ethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cn2ncc3ccccc32)CC1.
What is the InChIKey of ethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate?
The InChIKey is JRLKQIXGHJUHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-2-23-16(22)19-9-7-18(8-10-19)15(21)12-20-14-6-4-3-5-13(14)11-17-20/h3-6,11H,2,7-10,12H2,1H3.
What are the key properties of ethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate?
ethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate is sourced from PubChem (CID 5308265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).