3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone

C19H26N2O2 — CID 124560162

IUPAC3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(O[C@@H]2CCNC2)cc1)N1CC2CCC(CC2)C1
InChIInChI=1S/C19H26N2O2/c22-19(21-12-14-1-2-15(13-21)4-3-14)16-5-7-17(8-6-16)23-18-9-10-20-11-18/h5-8,14-15,18,20H,1-4,9-13H2/t14?,15?,18-/m1/s1
InChIKeyDIWFJSWHJXOMKT-JTTJXQCZSA-N
MW314.43 g/mol
LogP2.69
Rot. Bonds3

About 3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone

3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone (PubChem CID 124560162) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone.

Molecular Properties

Compound Name3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone
PubChem CID124560162
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone
SMILESO=C(c1ccc(O[C@@H]2CCNC2)cc1)N1CC2CCC(CC2)C1
InChIInChI=1S/C19H26N2O2/c22-19(21-12-14-1-2-15(13-21)4-3-14)16-5-7-17(8-6-16)23-18-9-10-20-11-18/h5-8,14-15,18,20H,1-4,9-13H2/t14?,15?,18-/m1/s1
InChIKeyDIWFJSWHJXOMKT-JTTJXQCZSA-N
XLogP2.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone?
The IUPAC name of 3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone (CID 124560162) is 3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone.
What is the SMILES notation for 3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone?
The canonical SMILES for 3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone is O=C(c1ccc(O[C@@H]2CCNC2)cc1)N1CC2CCC(CC2)C1.
What is the InChIKey of 3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone?
The InChIKey is DIWFJSWHJXOMKT-JTTJXQCZSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-19(21-12-14-1-2-15(13-21)4-3-14)16-5-7-17(8-6-16)23-18-9-10-20-11-18/h5-8,14-15,18,20H,1-4,9-13H2/t14?,15?,18-/m1/s1.
What are the key properties of 3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone?
3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone has a molecular weight of 314.43 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[3.2.2]nonan-3-yl-[4-[(3R)-pyrrolidin-3-yl]oxyphenyl]methanone is sourced from PubChem (CID 124560162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).