ethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate

C15H19NO3 — CID 71193421

IUPACethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate
SMILESCCOC(=O)C1Oc2ccccc2C12CCNCC2
InChIInChI=1S/C15H19NO3/c1-2-18-14(17)13-15(7-9-16-10-8-15)11-5-3-4-6-12(11)19-13/h3-6,13,16H,2,7-10H2,1H3
InChIKeyAIYXTVTVVHLCCR-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.63
Rot. Bonds2

About ethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate

ethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate (PubChem CID 71193421) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate.

Molecular Properties

Compound Nameethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate
PubChem CID71193421
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nameethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate
SMILESCCOC(=O)C1Oc2ccccc2C12CCNCC2
InChIInChI=1S/C15H19NO3/c1-2-18-14(17)13-15(7-9-16-10-8-15)11-5-3-4-6-12(11)19-13/h3-6,13,16H,2,7-10H2,1H3
InChIKeyAIYXTVTVVHLCCR-UHFFFAOYSA-N
XLogP1.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate?
The IUPAC name of ethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate (CID 71193421) is ethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate.
What is the SMILES notation for ethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate?
The canonical SMILES for ethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate is CCOC(=O)C1Oc2ccccc2C12CCNCC2.
What is the InChIKey of ethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate?
The InChIKey is AIYXTVTVVHLCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-18-14(17)13-15(7-9-16-10-8-15)11-5-3-4-6-12(11)19-13/h3-6,13,16H,2,7-10H2,1H3.
What are the key properties of ethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate?
ethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl spiro[2H-1-benzofuran-3,4'-piperidine]-2-carboxylate is sourced from PubChem (CID 71193421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).