[6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

C20H26FNO2 — CID 164710080

IUPAC[6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCc1ccc(CC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cc1F
InChIInChI=1S/C20H26FNO2/c1-13-3-4-14(6-17(13)21)5-15-7-20(8-15)11-22(12-20)18(23)16-9-19(2,24)10-16/h3-4,6,15-16,24H,5,7-12H2,1-2H3
InChIKeyZVCYUAHOTNAGBC-UHFFFAOYSA-N
MW331.43 g/mol
LogP3.08
Rot. Bonds3

About [6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone

[6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710080) has the molecular formula C20H26FNO2 and a molecular weight of 331.43 g/mol. Its IUPAC name is [6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710080
Molecular FormulaC20H26FNO2
Molecular Weight331.43 g/mol
Exact Mass331.19
IUPAC Name[6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCc1ccc(CC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cc1F
InChIInChI=1S/C20H26FNO2/c1-13-3-4-14(6-17(13)21)5-15-7-20(8-15)11-22(12-20)18(23)16-9-19(2,24)10-16/h3-4,6,15-16,24H,5,7-12H2,1-2H3
InChIKeyZVCYUAHOTNAGBC-UHFFFAOYSA-N
XLogP3.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710080) is [6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is Cc1ccc(CC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cc1F.
What is the InChIKey of [6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is ZVCYUAHOTNAGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO2/c1-13-3-4-14(6-17(13)21)5-15-7-20(8-15)11-22(12-20)18(23)16-9-19(2,24)10-16/h3-4,6,15-16,24H,5,7-12H2,1-2H3.
What are the key properties of [6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone has a molecular weight of 331.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-fluoro-4-methylphenyl)methyl]-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).