1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione

C23H26N2O3 — CID 121186423

IUPAC1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione
SMILESO=C(CCCC(=O)N1C2CCC1CC(Oc1ccncc1)C2)c1ccccc1
InChIInChI=1S/C23H26N2O3/c26-22(17-5-2-1-3-6-17)7-4-8-23(27)25-18-9-10-19(25)16-21(15-18)28-20-11-13-24-14-12-20/h1-3,5-6,11-14,18-19,21H,4,7-10,15-16H2
InChIKeyJHHDBPVRYAIZHR-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.04
Rot. Bonds7

About 1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione

1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione (PubChem CID 121186423) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione.

Molecular Properties

Compound Name1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione
PubChem CID121186423
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione
SMILESO=C(CCCC(=O)N1C2CCC1CC(Oc1ccncc1)C2)c1ccccc1
InChIInChI=1S/C23H26N2O3/c26-22(17-5-2-1-3-6-17)7-4-8-23(27)25-18-9-10-19(25)16-21(15-18)28-20-11-13-24-14-12-20/h1-3,5-6,11-14,18-19,21H,4,7-10,15-16H2
InChIKeyJHHDBPVRYAIZHR-UHFFFAOYSA-N
XLogP4.04
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione?
The IUPAC name of 1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione (CID 121186423) is 1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione.
What is the SMILES notation for 1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione?
The canonical SMILES for 1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione is O=C(CCCC(=O)N1C2CCC1CC(Oc1ccncc1)C2)c1ccccc1.
What is the InChIKey of 1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione?
The InChIKey is JHHDBPVRYAIZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c26-22(17-5-2-1-3-6-17)7-4-8-23(27)25-18-9-10-19(25)16-21(15-18)28-20-11-13-24-14-12-20/h1-3,5-6,11-14,18-19,21H,4,7-10,15-16H2.
What are the key properties of 1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione?
1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione has a molecular weight of 378.47 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)pentane-1,5-dione is sourced from PubChem (CID 121186423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).