1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone

C15H19FN2O — CID 82038211

IUPAC1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC2(CCNC2)C1
InChIInChI=1S/C15H19FN2O/c16-13-3-1-12(2-4-13)9-14(19)18-8-6-15(11-18)5-7-17-10-15/h1-4,17H,5-11H2
InChIKeyZJXRRFJYHDOGAZ-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.58
Rot. Bonds2

About 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone

1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 82038211) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone
PubChem CID82038211
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CCC2(CCNC2)C1
InChIInChI=1S/C15H19FN2O/c16-13-3-1-12(2-4-13)9-14(19)18-8-6-15(11-18)5-7-17-10-15/h1-4,17H,5-11H2
InChIKeyZJXRRFJYHDOGAZ-UHFFFAOYSA-N
XLogP1.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone 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 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone (CID 82038211) is 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CCC2(CCNC2)C1.
What is the InChIKey of 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is ZJXRRFJYHDOGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-13-3-1-12(2-4-13)9-14(19)18-8-6-15(11-18)5-7-17-10-15/h1-4,17H,5-11H2.
What are the key properties of 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone?
1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 262.33 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 82038211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).