[7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C22H30FNO3 — CID 164710005

IUPAC[7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCOc1cc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)cc(F)c1C
InChIInChI=1S/C22H30FNO3/c1-14-18(23)8-16(9-19(14)27-3)15-4-6-22(7-5-15)12-24(13-22)20(25)17-10-21(2,26)11-17/h8-9,15,17,26H,4-7,10-13H2,1-3H3
InChIKeyIASQDVMEBGHQQD-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.79
Rot. Bonds3

About [7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710005) has the molecular formula C22H30FNO3 and a molecular weight of 375.48 g/mol. Its IUPAC name is [7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710005
Molecular FormulaC22H30FNO3
Molecular Weight375.48 g/mol
Exact Mass375.22
IUPAC Name[7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCOc1cc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)cc(F)c1C
InChIInChI=1S/C22H30FNO3/c1-14-18(23)8-16(9-19(14)27-3)15-4-6-22(7-5-15)12-24(13-22)20(25)17-10-21(2,26)11-17/h8-9,15,17,26H,4-7,10-13H2,1-3H3
InChIKeyIASQDVMEBGHQQD-UHFFFAOYSA-N
XLogP3.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710005) is [7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is COc1cc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)cc(F)c1C.
What is the InChIKey of [7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is IASQDVMEBGHQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FNO3/c1-14-18(23)8-16(9-19(14)27-3)15-4-6-22(7-5-15)12-24(13-22)20(25)17-10-21(2,26)11-17/h8-9,15,17,26H,4-7,10-13H2,1-3H3.
What are the key properties of [7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 375.48 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3-fluoro-5-methoxy-4-methylphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).