(1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one

C21H23NO — CID 10733396

IUPAC(1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one
SMILESO=C1CC[C@@H]2[C@H](Cc3ccccc3)C[C@H]1N2Cc1ccccc1
InChIInChI=1S/C21H23NO/c23-21-12-11-19-18(13-16-7-3-1-4-8-16)14-20(21)22(19)15-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19-,20-/m1/s1
InChIKeyVBEFDSABXRERKR-VAMGGRTRSA-N
MW305.42 g/mol
LogP3.85
Rot. Bonds4

About (1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one

(1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one (PubChem CID 10733396) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name(1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one
PubChem CID10733396
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one
SMILESO=C1CC[C@@H]2[C@H](Cc3ccccc3)C[C@H]1N2Cc1ccccc1
InChIInChI=1S/C21H23NO/c23-21-12-11-19-18(13-16-7-3-1-4-8-16)14-20(21)22(19)15-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19-,20-/m1/s1
InChIKeyVBEFDSABXRERKR-VAMGGRTRSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one
CID 10825058
(6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one
CID 139445237
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one
CID 10680204
(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 51893267
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
7-benzyl-7-azabicyclo[2.2.1]heptan-2-one
CID 83679878
1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one
CID 83823768
9-benzyl-1,2,3,4,4a,4b,5,6,7,8,8a,9a-dodecahydrocarbazole
CID 102364241
8-benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CID 53484443
2-(4-benzylpiperidin-1-yl)cyclopentan-1-one
CID 43794813
(2R,5S)-1,2-dibenzyl-5-methylpyrrolidine
CID 101143886
(1S,6R)-7-benzyl-7-azabicyclo[4.2.0]octan-8-one
CID 14190975

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of (1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one (CID 10733396) is (1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for (1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for (1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one is O=C1CC[C@@H]2[C@H](Cc3ccccc3)C[C@H]1N2Cc1ccccc1.
What is the InChIKey of (1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one?
The InChIKey is VBEFDSABXRERKR-VAMGGRTRSA-N. The full InChI is InChI=1S/C21H23NO/c23-21-12-11-19-18(13-16-7-3-1-4-8-16)14-20(21)22(19)15-17-9-5-2-6-10-17/h1-10,18-20H,11-15H2/t18-,19-,20-/m1/s1.
What are the key properties of (1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one?
(1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one has a molecular weight of 305.42 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 10733396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).