methyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate

C17H21NO3 — CID 15656752

IUPACmethyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate
SMILESCOC(=O)C12CCC(CC(C)C1)N2C(=O)c1ccccc1
InChIInChI=1S/C17H21NO3/c1-12-10-14-8-9-17(11-12,16(20)21-2)18(14)15(19)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyJQPJRHVNUQDYPW-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.63
Rot. Bonds2

About methyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate

methyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate (PubChem CID 15656752) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate.

Molecular Properties

Compound Namemethyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate
PubChem CID15656752
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namemethyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate
SMILESCOC(=O)C12CCC(CC(C)C1)N2C(=O)c1ccccc1
InChIInChI=1S/C17H21NO3/c1-12-10-14-8-9-17(11-12,16(20)21-2)18(14)15(19)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyJQPJRHVNUQDYPW-UHFFFAOYSA-N
XLogP2.63
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate 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

methyl 8-benzoyl-3-phenyl-8-azabicyclo[3.2.1]octane-1-carboxylate
CID 15758871
methyl (1R,3R,4S)-7-benzoyl-3-ethyl-7-azabicyclo[2.2.1]heptane-1-carboxylate
CID 10913171
methyl (1R,4S)-7-benzoyl-3-methylidene-7-azabicyclo[2.2.1]heptane-1-carboxylate
CID 10635822
methyl (1S,5R,6S)-8-benzoyl-6-[tert-butyl(dimethyl)silyl]oxy-8-azabicyclo[3.2.1]octane-1-carboxylate
CID 10069759
methyl 7-(2-nitrobenzoyl)-7-azabicyclo[2.2.1]heptane-1-carboxylate
CID 20825299
methyl (1S,2S,4S)-7-benzoyl-4-bromo-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 139114881
methyl 2-benzoyl-4-methyl-2-azabicyclo[2.1.1]hexane-1-carboxylate
CID 139095289
methyl (2S)-1-benzoyl-1-azaspiro[4.6]undecane-2-carboxylate
CID 102141683
(7-methyl-7-azabicyclo[2.2.1]heptan-1-yl)-phenylmethanone
CID 67286105
tert-butyl 1-benzoyl-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 67286302
methyl 2-benzoyl-4-formyl-2-azabicyclo[2.1.1]hexane-1-carboxylate
CID 162695266
(3S)-4-benzoyl-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657837

Frequently Asked Questions

What is the IUPAC name of methyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate?
The IUPAC name of methyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate (CID 15656752) is methyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate.
What is the SMILES notation for methyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate?
The canonical SMILES for methyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate is COC(=O)C12CCC(CC(C)C1)N2C(=O)c1ccccc1.
What is the InChIKey of methyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate?
The InChIKey is JQPJRHVNUQDYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12-10-14-8-9-17(11-12,16(20)21-2)18(14)15(19)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of methyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate?
methyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-benzoyl-3-methyl-8-azabicyclo[3.2.1]octane-1-carboxylate is sourced from PubChem (CID 15656752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).