6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one

C16H21NO2 — CID 143943923

IUPAC6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
SMILESCOc1ccc2c(c1)CCC1(CCCCN1C)C2=O
InChIInChI=1S/C16H21NO2/c1-17-10-4-3-8-16(17)9-7-12-11-13(19-2)5-6-14(12)15(16)18/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyATEBFTGWABMOIF-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.68
Rot. Bonds1

About 6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one

6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one (PubChem CID 143943923) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one.

Molecular Properties

Compound Name6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
PubChem CID143943923
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
SMILESCOc1ccc2c(c1)CCC1(CCCCN1C)C2=O
InChIInChI=1S/C16H21NO2/c1-17-10-4-3-8-16(17)9-7-12-11-13(19-2)5-6-14(12)15(16)18/h5-6,11H,3-4,7-10H2,1-2H3
InChIKeyATEBFTGWABMOIF-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1'-[2-(2-fluorophenyl)ethyl]-6-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
CID 70916524
6-methoxy-1'-[2-(2-methylphenyl)ethyl]spiro[3,4-dihydronaphthalene-2,2'-azepane]-1-one
CID 143943898
6-methoxy-1'-[3-(2-methylphenyl)propyl]spiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
CID 46180947
N-[2-[2-(7-methoxy-4-oxospiro[1,2-dihydronaphthalene-3,2'-piperidine]-1'-yl)ethyl]phenyl]methanesulfonamide
CID 143943928
2,2-bis(hydroxymethyl)-6-methoxy-3,4-dihydronaphthalen-1-one
CID 102026561
6-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 14112
2-tert-butyl-6-methoxy-3,4-dihydroisoquinolin-1-one
CID 90292174
6'-methoxyspiro[1,3,5-trioxocane-7,2'-3,4-dihydronaphthalene]-1'-one
CID 135016415
5-methoxy-2,2-dimethyl-3H-inden-1-one
CID 10330158
ethene;5-methoxyspiro[3H-indene-2,4'-cyclohexane]-1,1'-dione
CID 161055612
5,6-bis(chloromethyl)-6'-methoxyspiro[1,3-dihydroindene-2,2'-3,4-dihydronaphthalene]-1'-one
CID 132563408
4-methoxy-14-methyl-14-azatetracyclo[8.4.4.01,10.02,7]octadeca-2(7),3,5-triene
CID 67946215

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one?
The IUPAC name of 6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one (CID 143943923) is 6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one.
What is the SMILES notation for 6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one?
The canonical SMILES for 6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one is COc1ccc2c(c1)CCC1(CCCCN1C)C2=O.
What is the InChIKey of 6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one?
The InChIKey is ATEBFTGWABMOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-17-10-4-3-8-16(17)9-7-12-11-13(19-2)5-6-14(12)15(16)18/h5-6,11H,3-4,7-10H2,1-2H3.
What are the key properties of 6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one?
6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one has a molecular weight of 259.35 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-methylspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one is sourced from PubChem (CID 143943923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).