[6-(3-cyclopropyl-2-fluorophenoxy)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C22H28FNO3 — CID 164710011

IUPAC[6-(3-cyclopropyl-2-fluorophenoxy)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCC1(O)CC(C(=O)N2CC3(CCC(Oc4cccc(C5CC5)c4F)C3)C2)C1
InChIInChI=1S/C22H28FNO3/c1-21(26)9-15(10-21)20(25)24-12-22(13-24)8-7-16(11-22)27-18-4-2-3-17(19(18)23)14-5-6-14/h2-4,14-16,26H,5-13H2,1H3
InChIKeyIJNPXPAFALKPFR-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.62
Rot. Bonds4

About [6-(3-cyclopropyl-2-fluorophenoxy)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[6-(3-cyclopropyl-2-fluorophenoxy)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710011) has the molecular formula C22H28FNO3 and a molecular weight of 373.47 g/mol. Its IUPAC name is [6-(3-cyclopropyl-2-fluorophenoxy)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[6-(3-cyclopropyl-2-fluorophenoxy)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710011
Molecular FormulaC22H28FNO3
Molecular Weight373.47 g/mol
Exact Mass373.21
IUPAC Name[6-(3-cyclopropyl-2-fluorophenoxy)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCC1(O)CC(C(=O)N2CC3(CCC(Oc4cccc(C5CC5)c4F)C3)C2)C1
InChIInChI=1S/C22H28FNO3/c1-21(26)9-15(10-21)20(25)24-12-22(13-24)8-7-16(11-22)27-18-4-2-3-17(19(18)23)14-5-6-14/h2-4,14-16,26H,5-13H2,1H3
InChIKeyIJNPXPAFALKPFR-UHFFFAOYSA-N
XLogP3.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-(3-cyclopropyl-2-fluorophenoxy)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [6-(3-cyclopropyl-2-fluorophenoxy)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710011) is [6-(3-cyclopropyl-2-fluorophenoxy)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [6-(3-cyclopropyl-2-fluorophenoxy)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [6-(3-cyclopropyl-2-fluorophenoxy)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is CC1(O)CC(C(=O)N2CC3(CCC(Oc4cccc(C5CC5)c4F)C3)C2)C1.
What is the InChIKey of [6-(3-cyclopropyl-2-fluorophenoxy)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is IJNPXPAFALKPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FNO3/c1-21(26)9-15(10-21)20(25)24-12-22(13-24)8-7-16(11-22)27-18-4-2-3-17(19(18)23)14-5-6-14/h2-4,14-16,26H,5-13H2,1H3.
What are the key properties of [6-(3-cyclopropyl-2-fluorophenoxy)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[6-(3-cyclopropyl-2-fluorophenoxy)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 373.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-cyclopropyl-2-fluorophenoxy)-2-azaspiro[3.4]octan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).