benzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate

C23H25NO4 — CID 162372780

IUPACbenzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESO=C1CC2CC(OCc3ccccc3)CC(C1)N2C(=O)OCc1ccccc1
InChIInChI=1S/C23H25NO4/c25-21-11-19-13-22(27-15-17-7-3-1-4-8-17)14-20(12-21)24(19)23(26)28-16-18-9-5-2-6-10-18/h1-10,19-20,22H,11-16H2
InChIKeyTZQOAWMLUWMSSG-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.10
Rot. Bonds5

About benzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate

benzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate (PubChem CID 162372780) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is benzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate.

Molecular Properties

Compound Namebenzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
PubChem CID162372780
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Namebenzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate
SMILESO=C1CC2CC(OCc3ccccc3)CC(C1)N2C(=O)OCc1ccccc1
InChIInChI=1S/C23H25NO4/c25-21-11-19-13-22(27-15-17-7-3-1-4-8-17)14-20(12-21)24(19)23(26)28-16-18-9-5-2-6-10-18/h1-10,19-20,22H,11-16H2
InChIKeyTZQOAWMLUWMSSG-UHFFFAOYSA-N
XLogP4.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze benzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-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

benzyl 3-oxo-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 146026710
benzyl (5S)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 91663906
benzyl (1R,5S)-7-amino-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 135396085
benzyl (1S)-11-oxo-13-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxylate
CID 70835288
benzyl (1S,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98043315
benzyl 7-carbamoyl-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171936378
benzyl 3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 121186589
benzyl 3-phenylmethoxyazetidine-1-carboxylate;ethane
CID 143474656
benzyl 3-(bromomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171937053
benzyl (1S,6R)-10-azabicyclo[4.3.1]dec-3-ene-10-carboxylate
CID 12049881
benzyl (1S,2S,4R)-2-hydroxy-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 10610494
3-phenylmethoxycyclobutane-1-carboxamide
CID 121012391

Frequently Asked Questions

What is the IUPAC name of benzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The IUPAC name of benzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate (CID 162372780) is benzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate.
What is the SMILES notation for benzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The canonical SMILES for benzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate is O=C1CC2CC(OCc3ccccc3)CC(C1)N2C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate?
The InChIKey is TZQOAWMLUWMSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c25-21-11-19-13-22(27-15-17-7-3-1-4-8-17)14-20(12-21)24(19)23(26)28-16-18-9-5-2-6-10-18/h1-10,19-20,22H,11-16H2.
What are the key properties of benzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate?
benzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-oxo-7-phenylmethoxy-9-azabicyclo[3.3.1]nonane-9-carboxylate is sourced from PubChem (CID 162372780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).