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

C17H23NO — CID 10825058

IUPAC(1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one
SMILESCCC[C@H]1C[C@@H]2C(=O)CC[C@H]1N2Cc1ccccc1
InChIInChI=1S/C17H23NO/c1-2-6-14-11-16-17(19)10-9-15(14)18(16)12-13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3/t14-,15+,16+/m0/s1
InChIKeyQKNLHUPEDPEXOF-ARFHVFGLSA-N
MW257.38 g/mol
LogP3.41
Rot. Bonds4

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

(1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one (PubChem CID 10825058) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name(1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one
PubChem CID10825058
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one
SMILESCCC[C@H]1C[C@@H]2C(=O)CC[C@H]1N2Cc1ccccc1
InChIInChI=1S/C17H23NO/c1-2-6-14-11-16-17(19)10-9-15(14)18(16)12-13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3/t14-,15+,16+/m0/s1
InChIKeyQKNLHUPEDPEXOF-ARFHVFGLSA-N
XLogP3.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one
CID 10733396
(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
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
(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
(5R)-4-benzyl-5-phenyl-3-propylmorpholin-2-one
CID 102009380
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
(1R,4S)-7-benzyl-2-but-3-enyl-7-azabicyclo[2.2.1]heptane
CID 134905454
8-benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CID 53484443

Frequently Asked Questions

What is the IUPAC name of (1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of (1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one (CID 10825058) is (1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for (1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for (1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one is CCC[C@H]1C[C@@H]2C(=O)CC[C@H]1N2Cc1ccccc1.
What is the InChIKey of (1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one?
The InChIKey is QKNLHUPEDPEXOF-ARFHVFGLSA-N. The full InChI is InChI=1S/C17H23NO/c1-2-6-14-11-16-17(19)10-9-15(14)18(16)12-13-7-4-3-5-8-13/h3-5,7-8,14-16H,2,6,9-12H2,1H3/t14-,15+,16+/m0/s1.
What are the key properties of (1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one?
(1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one has a molecular weight of 257.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 10825058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).