3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one

C17H23FN2O — CID 83225076

IUPAC3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC(C)N1C(=O)C2(CCCC2)NC1c1ccccc1F
InChIInChI=1S/C17H23FN2O/c1-3-12(2)20-15(13-8-4-5-9-14(13)18)19-17(16(20)21)10-6-7-11-17/h4-5,8-9,12,15,19H,3,6-7,10-11H2,1-2H3
InChIKeyVHRIIXOXAZBUSC-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.37
Rot. Bonds3

About 3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one

3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 83225076) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID83225076
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one
SMILESCCC(C)N1C(=O)C2(CCCC2)NC1c1ccccc1F
InChIInChI=1S/C17H23FN2O/c1-3-12(2)20-15(13-8-4-5-9-14(13)18)19-17(16(20)21)10-6-7-11-17/h4-5,8-9,12,15,19H,3,6-7,10-11H2,1-2H3
InChIKeyVHRIIXOXAZBUSC-UHFFFAOYSA-N
XLogP3.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one (CID 83225076) is 3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one is CCC(C)N1C(=O)C2(CCCC2)NC1c1ccccc1F.
What is the InChIKey of 3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is VHRIIXOXAZBUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-3-12(2)20-15(13-8-4-5-9-14(13)18)19-17(16(20)21)10-6-7-11-17/h4-5,8-9,12,15,19H,3,6-7,10-11H2,1-2H3.
What are the key properties of 3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one?
3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 290.38 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-2-(2-fluorophenyl)-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 83225076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).