1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one

C14H15FN2O2 — CID 20781160

IUPAC1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C(c1ccc(F)cc1)N1CCCC12CCNC2=O
InChIInChI=1S/C14H15FN2O2/c15-11-4-2-10(3-5-11)12(18)17-9-1-6-14(17)7-8-16-13(14)19/h2-5H,1,6-9H2,(H,16,19)
InChIKeyVAWULOKZCKLDHW-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.32
Rot. Bonds1

About 1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one

1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one (PubChem CID 20781160) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one
PubChem CID20781160
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one
SMILESO=C(c1ccc(F)cc1)N1CCCC12CCNC2=O
InChIInChI=1S/C14H15FN2O2/c15-11-4-2-10(3-5-11)12(18)17-9-1-6-14(17)7-8-16-13(14)19/h2-5H,1,6-9H2,(H,16,19)
InChIKeyVAWULOKZCKLDHW-UHFFFAOYSA-N
XLogP1.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one?
The IUPAC name of 1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one (CID 20781160) is 1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one.
What is the SMILES notation for 1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one?
The canonical SMILES for 1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one is O=C(c1ccc(F)cc1)N1CCCC12CCNC2=O.
What is the InChIKey of 1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one?
The InChIKey is VAWULOKZCKLDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-11-4-2-10(3-5-11)12(18)17-9-1-6-14(17)7-8-16-13(14)19/h2-5H,1,6-9H2,(H,16,19).
What are the key properties of 1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one?
1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one has a molecular weight of 262.28 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one is sourced from PubChem (CID 20781160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).