ethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate

C16H21NO4 — CID 71193435

IUPACethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate
SMILESCCOC(=O)C1OC2(CCNCC2)c2ccc(OC)cc21
InChIInChI=1S/C16H21NO4/c1-3-20-15(18)14-12-10-11(19-2)4-5-13(12)16(21-14)6-8-17-9-7-16/h4-5,10,14,17H,3,6-9H2,1-2H3
InChIKeyJIKNWBMQJOLVMP-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.91
Rot. Bonds3

About ethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate

ethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate (PubChem CID 71193435) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate.

Molecular Properties

Compound Nameethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate
PubChem CID71193435
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Nameethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate
SMILESCCOC(=O)C1OC2(CCNCC2)c2ccc(OC)cc21
InChIInChI=1S/C16H21NO4/c1-3-20-15(18)14-12-10-11(19-2)4-5-13(12)16(21-14)6-8-17-9-7-16/h4-5,10,14,17H,3,6-9H2,1-2H3
InChIKeyJIKNWBMQJOLVMP-UHFFFAOYSA-N
XLogP1.91
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate?
The IUPAC name of ethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate (CID 71193435) is ethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate.
What is the SMILES notation for ethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate?
The canonical SMILES for ethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate is CCOC(=O)C1OC2(CCNCC2)c2ccc(OC)cc21.
What is the InChIKey of ethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate?
The InChIKey is JIKNWBMQJOLVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-20-15(18)14-12-10-11(19-2)4-5-13(12)16(21-14)6-8-17-9-7-16/h4-5,10,14,17H,3,6-9H2,1-2H3.
What are the key properties of ethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate?
ethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methoxyspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate is sourced from PubChem (CID 71193435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).