1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone

C20H23NO2 — CID 122255438

IUPAC1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone
SMILESCOC1CC2CCC(C1)N2C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C20H23NO2/c1-23-18-12-16-9-10-17(13-18)21(16)20(22)11-15-7-4-6-14-5-2-3-8-19(14)15/h2-8,16-18H,9-13H2,1H3
InChIKeyKYVPWDVRBQYLEX-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.55
Rot. Bonds3

About 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone

1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone (PubChem CID 122255438) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone
PubChem CID122255438
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone
SMILESCOC1CC2CCC(C1)N2C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C20H23NO2/c1-23-18-12-16-9-10-17(13-18)21(16)20(22)11-15-7-4-6-14-5-2-3-8-19(14)15/h2-8,16-18H,9-13H2,1H3
InChIKeyKYVPWDVRBQYLEX-UHFFFAOYSA-N
XLogP3.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[8-(2-naphthalen-1-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidine-2,5-dione
CID 86265591
1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-phenylsulfanylpropan-1-one
CID 122255246
1-(4-methoxypyrrolidin-2-yl)-2-naphthalen-1-ylethanone
CID 116560533
1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-3-(4-methoxyphenyl)propan-1-one
CID 122255237
2-(benzotriazol-1-yl)-1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 122255465
1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-fluorophenyl)ethanone
CID 63762253
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
1-(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methoxyphenyl)ethanone
CID 138989022
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride
CID 119592490
1-(2-naphthalen-1-ylacetyl)piperidine-2-carboxylic acid
CID 43822910
1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-naphthalen-1-ylethanone
CID 171948945

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone?
The IUPAC name of 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone (CID 122255438) is 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone is COC1CC2CCC(C1)N2C(=O)Cc1cccc2ccccc12.
What is the InChIKey of 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone?
The InChIKey is KYVPWDVRBQYLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-23-18-12-16-9-10-17(13-18)21(16)20(22)11-15-7-4-6-14-5-2-3-8-19(14)15/h2-8,16-18H,9-13H2,1H3.
What are the key properties of 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone?
1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone has a molecular weight of 309.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-2-naphthalen-1-ylethanone is sourced from PubChem (CID 122255438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).