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

C22H25NO3 — CID 10948128

IUPACethyl 1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate
SMILESCCOC(=O)C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H25NO3/c1-2-25-21(24)20-18-10-6-7-11-19(18)22(26-20)12-14-23(15-13-22)16-17-8-4-3-5-9-17/h3-11,20H,2,12-16H2,1H3
InChIKeyOYVHGIIMTHUYCL-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.81
Rot. Bonds4

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

ethyl 1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate (PubChem CID 10948128) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is ethyl 1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate.

Molecular Properties

Compound Nameethyl 1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate
PubChem CID10948128
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Nameethyl 1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate
SMILESCCOC(=O)C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H25NO3/c1-2-25-21(24)20-18-10-6-7-11-19(18)22(26-20)12-14-23(15-13-22)16-17-8-4-3-5-9-17/h3-11,20H,2,12-16H2,1H3
InChIKeyOYVHGIIMTHUYCL-UHFFFAOYSA-N
XLogP3.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate?
The IUPAC name of ethyl 1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate (CID 10948128) is ethyl 1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate.
What is the SMILES notation for ethyl 1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate?
The canonical SMILES for ethyl 1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate is CCOC(=O)C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of ethyl 1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate?
The InChIKey is OYVHGIIMTHUYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-2-25-21(24)20-18-10-6-7-11-19(18)22(26-20)12-14-23(15-13-22)16-17-8-4-3-5-9-17/h3-11,20H,2,12-16H2,1H3.
What are the key properties of ethyl 1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate?
ethyl 1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1'-benzylspiro[1H-2-benzofuran-3,4'-piperidine]-1-carboxylate is sourced from PubChem (CID 10948128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).