(2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone

C25H25NO3 — CID 24958835

IUPAC(2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C25H25NO3/c1-2-28-22-12-11-18-7-3-5-9-20(18)23(22)24(27)26-15-13-25(14-16-26)21-10-6-4-8-19(21)17-29-25/h3-12H,2,13-17H2,1H3
InChIKeyZQZPVTVYWWAKON-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.90
Rot. Bonds3

About (2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone

(2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone (PubChem CID 24958835) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
PubChem CID24958835
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name(2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
SMILESCCOc1ccc2ccccc2c1C(=O)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C25H25NO3/c1-2-28-22-12-11-18-7-3-5-9-20(18)23(22)24(27)26-15-13-25(14-16-26)21-10-6-4-8-19(21)17-29-25/h3-12H,2,13-17H2,1H3
InChIKeyZQZPVTVYWWAKON-UHFFFAOYSA-N
XLogP4.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone (CID 24958835) is (2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone is CCOc1ccc2ccccc2c1C(=O)N1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of (2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone?
The InChIKey is ZQZPVTVYWWAKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c1-2-28-22-12-11-18-7-3-5-9-20(18)23(22)24(27)26-15-13-25(14-16-26)21-10-6-4-8-19(21)17-29-25/h3-12H,2,13-17H2,1H3.
What are the key properties of (2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone?
(2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone has a molecular weight of 387.48 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxynaphthalen-1-yl)-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 24958835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).