1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone

C13H15FN2O — CID 170787296

IUPAC1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC2(CNC2)C1
InChIInChI=1S/C13H15FN2O/c14-11-3-1-10(2-4-11)5-12(17)16-8-13(9-16)6-15-7-13/h1-4,15H,5-9H2
InChIKeyPPVKOBNBCYOROG-UHFFFAOYSA-N
MW234.27 g/mol
LogP0.80
Rot. Bonds2

About 1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone

1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 170787296) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone
PubChem CID170787296
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC2(CNC2)C1
InChIInChI=1S/C13H15FN2O/c14-11-3-1-10(2-4-11)5-12(17)16-8-13(9-16)6-15-7-13/h1-4,15H,5-9H2
InChIKeyPPVKOBNBCYOROG-UHFFFAOYSA-N
XLogP0.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,7-diazaspiro[4.4]nonan-2-yl)-2-(4-fluorophenyl)ethanone
CID 82038211
1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 63753631
1-[6-[(2-chlorophenyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]-2-(4-fluorophenyl)ethanone
CID 170787411
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
2-(4-fluorophenyl)-1-[6-[2-(3-fluorophenyl)ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 170787422
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
2-(4-fluorophenyl)-1-[6-(1,3-thiazol-4-ylmethyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 170787282
2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 110721522
1-[2-(4-fluorophenyl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63143059
lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 21304004
1-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110802701
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone (CID 170787296) is 1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)N1CC2(CNC2)C1.
What is the InChIKey of 1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is PPVKOBNBCYOROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-11-3-1-10(2-4-11)5-12(17)16-8-13(9-16)6-15-7-13/h1-4,15H,5-9H2.
What are the key properties of 1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone?
1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 234.27 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 170787296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).