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

C21H28FNO3 — CID 164710104

IUPAC[7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCOc1cc(F)cc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1
InChIInChI=1S/C21H28FNO3/c1-20(25)10-16(11-20)19(24)23-12-21(13-23)5-3-14(4-6-21)15-7-17(22)9-18(8-15)26-2/h7-9,14,16,25H,3-6,10-13H2,1-2H3
InChIKeyJYOXCZDQIAJRDS-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.48
Rot. Bonds3

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

[7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (PubChem CID 164710104) has the molecular formula C21H28FNO3 and a molecular weight of 361.46 g/mol. Its IUPAC name is [7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.

Molecular Properties

Compound Name[7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
PubChem CID164710104
Molecular FormulaC21H28FNO3
Molecular Weight361.46 g/mol
Exact Mass361.21
IUPAC Name[7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone
SMILESCOc1cc(F)cc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1
InChIInChI=1S/C21H28FNO3/c1-20(25)10-16(11-20)19(24)23-12-21(13-23)5-3-14(4-6-21)15-7-17(22)9-18(8-15)26-2/h7-9,14,16,25H,3-6,10-13H2,1-2H3
InChIKeyJYOXCZDQIAJRDS-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

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Frequently Asked Questions

What is the IUPAC name of [7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The IUPAC name of [7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone (CID 164710104) is [7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone.
What is the SMILES notation for [7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The canonical SMILES for [7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is COc1cc(F)cc(C2CCC3(CC2)CN(C(=O)C2CC(C)(O)C2)C3)c1.
What is the InChIKey of [7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
The InChIKey is JYOXCZDQIAJRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FNO3/c1-20(25)10-16(11-20)19(24)23-12-21(13-23)5-3-14(4-6-21)15-7-17(22)9-18(8-15)26-2/h7-9,14,16,25H,3-6,10-13H2,1-2H3.
What are the key properties of [7-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone?
[7-(3-fluoro-5-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-(3-fluoro-5-methoxyphenyl)-2-azaspiro[3.5]nonan-2-yl]-(3-hydroxy-3-methylcyclobutyl)methanone is sourced from PubChem (CID 164710104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).