3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one

C26H31NO3 — CID 118720488

IUPAC3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one
SMILESCOc1cccc2c1CCCC2CCC(=O)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C26H31NO3/c1-29-24-11-5-8-21-19(7-4-9-22(21)24)12-13-25(28)27-16-14-26(15-17-27)23-10-3-2-6-20(23)18-30-26/h2-3,5-6,8,10-11,19H,4,7,9,12-18H2,1H3
InChIKeyIYVASUUKCLZLER-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.94
Rot. Bonds4

About 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one

3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one (PubChem CID 118720488) has the molecular formula C26H31NO3 and a molecular weight of 405.54 g/mol. Its IUPAC name is 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one.

Molecular Properties

Compound Name3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one
PubChem CID118720488
Molecular FormulaC26H31NO3
Molecular Weight405.54 g/mol
Exact Mass405.23
IUPAC Name3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one
SMILESCOc1cccc2c1CCCC2CCC(=O)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C26H31NO3/c1-29-24-11-5-8-21-19(7-4-9-22(21)24)12-13-25(28)27-16-14-26(15-17-27)23-10-3-2-6-20(23)18-30-26/h2-3,5-6,8,10-11,19H,4,7,9,12-18H2,1H3
InChIKeyIYVASUUKCLZLER-UHFFFAOYSA-N
XLogP4.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 118720491
1-[4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazin-1-yl]ethanone
CID 10830296
[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 10535755
2-(2-oxo-2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)sulfanylacetic acid
CID 70254343
(5S)-5-[3-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 165420309
1-(azepan-1-yl)-4-(8-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)butane-1,4-dione
CID 135114400
1-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
CID 10684798
1-benzyl-5-methoxy-1,2,3,4-tetrahydronaphthalene
CID 72942489
3-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]pentanediamide
CID 44598774
N-(6-methoxy-3-pyridinyl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
CID 10131986
1-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylmethanamine
CID 10774628
[4-(dimethylamino)phenyl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
CID 78322536

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one?
The IUPAC name of 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one (CID 118720488) is 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one.
What is the SMILES notation for 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one?
The canonical SMILES for 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one is COc1cccc2c1CCCC2CCC(=O)N1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one?
The InChIKey is IYVASUUKCLZLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO3/c1-29-24-11-5-8-21-19(7-4-9-22(21)24)12-13-25(28)27-16-14-26(15-17-27)23-10-3-2-6-20(23)18-30-26/h2-3,5-6,8,10-11,19H,4,7,9,12-18H2,1H3.
What are the key properties of 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one?
3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one has a molecular weight of 405.54 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylpropan-1-one is sourced from PubChem (CID 118720488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).