ethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate

C15H21N3O2 — CID 66835072

IUPACethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate
SMILESCCOC(=O)Cn1ncc2c1C=CC1(CCNCC1)C2
InChIInChI=1S/C15H21N3O2/c1-2-20-14(19)11-18-13-3-4-15(5-7-16-8-6-15)9-12(13)10-17-18/h3-4,10,16H,2,5-9,11H2,1H3
InChIKeyTYMRSDIBRWZPEM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.39
Rot. Bonds3

About ethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate

ethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate (PubChem CID 66835072) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is ethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate
PubChem CID66835072
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nameethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate
SMILESCCOC(=O)Cn1ncc2c1C=CC1(CCNCC1)C2
InChIInChI=1S/C15H21N3O2/c1-2-20-14(19)11-18-13-3-4-15(5-7-16-8-6-15)9-12(13)10-17-18/h3-4,10,16H,2,5-9,11H2,1H3
InChIKeyTYMRSDIBRWZPEM-UHFFFAOYSA-N
XLogP1.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate?
The IUPAC name of ethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate (CID 66835072) is ethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate.
What is the SMILES notation for ethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate?
The canonical SMILES for ethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate is CCOC(=O)Cn1ncc2c1C=CC1(CCNCC1)C2.
What is the InChIKey of ethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate?
The InChIKey is TYMRSDIBRWZPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-20-14(19)11-18-13-3-4-15(5-7-16-8-6-15)9-12(13)10-17-18/h3-4,10,16H,2,5-9,11H2,1H3.
What are the key properties of ethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate?
ethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate has a molecular weight of 275.35 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-spiro[4H-indazole-5,4'-piperidine]-1-ylacetate is sourced from PubChem (CID 66835072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).