9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one

C18H22F2N2O — CID 126808434

IUPAC9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one
SMILESO=C1CCC(NC2CC(c3cc(F)cc(F)c3)C2)C2(CCC2)N1
InChIInChI=1S/C18H22F2N2O/c19-13-6-11(7-14(20)10-13)12-8-15(9-12)21-16-2-3-17(23)22-18(16)4-1-5-18/h6-7,10,12,15-16,21H,1-5,8-9H2,(H,22,23)
InChIKeyCAIFTWBHVFPYKL-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.00
Rot. Bonds3

About 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one

9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one (PubChem CID 126808434) has the molecular formula C18H22F2N2O and a molecular weight of 320.38 g/mol. Its IUPAC name is 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one.

Molecular Properties

Compound Name9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one
PubChem CID126808434
Molecular FormulaC18H22F2N2O
Molecular Weight320.38 g/mol
Exact Mass320.17
IUPAC Name9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one
SMILESO=C1CCC(NC2CC(c3cc(F)cc(F)c3)C2)C2(CCC2)N1
InChIInChI=1S/C18H22F2N2O/c19-13-6-11(7-14(20)10-13)12-8-15(9-12)21-16-2-3-17(23)22-18(16)4-1-5-18/h6-7,10,12,15-16,21H,1-5,8-9H2,(H,22,23)
InChIKeyCAIFTWBHVFPYKL-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one?
The IUPAC name of 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one (CID 126808434) is 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one.
What is the SMILES notation for 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one?
The canonical SMILES for 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one is O=C1CCC(NC2CC(c3cc(F)cc(F)c3)C2)C2(CCC2)N1.
What is the InChIKey of 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one?
The InChIKey is CAIFTWBHVFPYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O/c19-13-6-11(7-14(20)10-13)12-8-15(9-12)21-16-2-3-17(23)22-18(16)4-1-5-18/h6-7,10,12,15-16,21H,1-5,8-9H2,(H,22,23).
What are the key properties of 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one?
9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one has a molecular weight of 320.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one is sourced from PubChem (CID 126808434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).