[7-(2-fluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C21H28FNO3 — CID 164710010

IUPAC[7-(2-fluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCOc1cccc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1F
InChIInChI=1S/C21H28FNO3/c1-20(25)10-15(11-20)19(24)23-12-21(13-23)8-6-14(7-9-21)16-4-3-5-17(26-2)18(16)22/h3-5,14-15,25H,6-13H2,1-2H3
InChIKeyPXSFCRVPDVRNDY-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.48
Rot. Bonds3

About [7-(2-fluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[7-(2-fluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710010) has the molecular formula C21H28FNO3 and a molecular weight of 361.46 g/mol. Its IUPAC name is [7-(2-fluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[7-(2-fluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710010
Molecular FormulaC21H28FNO3
Molecular Weight361.46 g/mol
Exact Mass361.21
IUPAC Name[7-(2-fluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCOc1cccc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1F
InChIInChI=1S/C21H28FNO3/c1-20(25)10-15(11-20)19(24)23-12-21(13-23)8-6-14(7-9-21)16-4-3-5-17(26-2)18(16)22/h3-5,14-15,25H,6-13H2,1-2H3
InChIKeyPXSFCRVPDVRNDY-UHFFFAOYSA-N
XLogP3.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [7-(2-fluoro-3-methoxyphenyl)-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-(2-fluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [7-(2-fluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710010) is [7-(2-fluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [7-(2-fluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [7-(2-fluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is COc1cccc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1F.
What is the InChIKey of [7-(2-fluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is PXSFCRVPDVRNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO3/c1-20(25)10-15(11-20)19(24)23-12-21(13-23)8-6-14(7-9-21)16-4-3-5-17(26-2)18(16)22/h3-5,14-15,25H,6-13H2,1-2H3.
What are the key properties of [7-(2-fluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[7-(2-fluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 361.46 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-fluoro-3-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).