[7-(4-cyclopropyl-3-fluorophenoxy)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C23H30FNO3 — CID 164710224

IUPAC[7-(4-cyclopropyl-3-fluorophenoxy)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCC1(O)CC(C(=O)N2CC3(CCC(Oc4ccc(C5CC5)c(F)c4)CC3)C2)C1
InChIInChI=1S/C23H30FNO3/c1-22(27)11-16(12-22)21(26)25-13-23(14-25)8-6-17(7-9-23)28-18-4-5-19(15-2-3-15)20(24)10-18/h4-5,10,15-17,27H,2-3,6-9,11-14H2,1H3
InChIKeyPZLYLOZYEDXPDL-UHFFFAOYSA-N
MW387.50 g/mol
LogP4.01
Rot. Bonds4

About [7-(4-cyclopropyl-3-fluorophenoxy)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[7-(4-cyclopropyl-3-fluorophenoxy)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710224) has the molecular formula C23H30FNO3 and a molecular weight of 387.50 g/mol. Its IUPAC name is [7-(4-cyclopropyl-3-fluorophenoxy)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[7-(4-cyclopropyl-3-fluorophenoxy)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710224
Molecular FormulaC23H30FNO3
Molecular Weight387.50 g/mol
Exact Mass387.22
IUPAC Name[7-(4-cyclopropyl-3-fluorophenoxy)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCC1(O)CC(C(=O)N2CC3(CCC(Oc4ccc(C5CC5)c(F)c4)CC3)C2)C1
InChIInChI=1S/C23H30FNO3/c1-22(27)11-16(12-22)21(26)25-13-23(14-25)8-6-17(7-9-23)28-18-4-5-19(15-2-3-15)20(24)10-18/h4-5,10,15-17,27H,2-3,6-9,11-14H2,1H3
InChIKeyPZLYLOZYEDXPDL-UHFFFAOYSA-N
XLogP4.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-(4-cyclopropyl-3-fluorophenoxy)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [7-(4-cyclopropyl-3-fluorophenoxy)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710224) is [7-(4-cyclopropyl-3-fluorophenoxy)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [7-(4-cyclopropyl-3-fluorophenoxy)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [7-(4-cyclopropyl-3-fluorophenoxy)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CC1(O)CC(C(=O)N2CC3(CCC(Oc4ccc(C5CC5)c(F)c4)CC3)C2)C1.
What is the InChIKey of [7-(4-cyclopropyl-3-fluorophenoxy)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is PZLYLOZYEDXPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO3/c1-22(27)11-16(12-22)21(26)25-13-23(14-25)8-6-17(7-9-23)28-18-4-5-19(15-2-3-15)20(24)10-18/h4-5,10,15-17,27H,2-3,6-9,11-14H2,1H3.
What are the key properties of [7-(4-cyclopropyl-3-fluorophenoxy)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[7-(4-cyclopropyl-3-fluorophenoxy)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 387.50 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-cyclopropyl-3-fluorophenoxy)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).