(4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C23H28N2O2 — CID 121186547

IUPAC(4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2C3CCC2CC(Oc2ccncc2)C3)cc1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)17-6-4-16(5-7-17)22(26)25-18-8-9-19(25)15-21(14-18)27-20-10-12-24-13-11-20/h4-7,10-13,18-19,21H,8-9,14-15H2,1-3H3
InChIKeyBOQCSZZQPOASSJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.59
Rot. Bonds3

About (4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 121186547) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID121186547
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESCC(C)(C)c1ccc(C(=O)N2C3CCC2CC(Oc2ccncc2)C3)cc1
InChIInChI=1S/C23H28N2O2/c1-23(2,3)17-6-4-16(5-7-17)22(26)25-18-8-9-19(25)15-21(14-18)27-20-10-12-24-13-11-20/h4-7,10-13,18-19,21H,8-9,14-15H2,1-3H3
InChIKeyBOQCSZZQPOASSJ-UHFFFAOYSA-N
XLogP4.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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Related Compounds

(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 121186393
methyl 4-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)benzoate
CID 121186374
[3,5-bis(trifluoromethyl)phenyl]-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186625
(4-tert-butylphenyl)-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methanone
CID 124568876
(2-chlorophenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186471
(4-fluorophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121185870
(4-bromophenyl)-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186056
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186495
(4-bromothiophen-2-yl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186612
isoquinolin-1-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186611
1-benzofuran-2-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186348
N-[2-oxo-2-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]benzamide
CID 121186509

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 121186547) is (4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is CC(C)(C)c1ccc(C(=O)N2C3CCC2CC(Oc2ccncc2)C3)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is BOQCSZZQPOASSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-23(2,3)17-6-4-16(5-7-17)22(26)25-18-8-9-19(25)15-21(14-18)27-20-10-12-24-13-11-20/h4-7,10-13,18-19,21H,8-9,14-15H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 364.49 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 121186547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).