2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one

C13H15FN2O — CID 121229716

IUPAC2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCNC2)CN1c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c14-10-1-3-11(4-2-10)16-9-13(7-12(16)17)5-6-15-8-13/h1-4,15H,5-9H2
InChIKeySCKCIDDVRNYOAP-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.54
Rot. Bonds1

About 2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one

2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 121229716) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID121229716
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C1CC2(CCNC2)CN1c1ccc(F)cc1
InChIInChI=1S/C13H15FN2O/c14-10-1-3-11(4-2-10)16-9-13(7-12(16)17)5-6-15-8-13/h1-4,15H,5-9H2
InChIKeySCKCIDDVRNYOAP-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-1-(4-fluorophenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 3148502
2-[2-fluoro-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 46234698
2-[2-fluoro-4-[4-[(2S)-2-methylpyrrolidin-1-yl]piperidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 46235161
2-[2-fluoro-4-[(3S)-3-[(2S)-2-methylpiperidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 46235163
3-Amino-1-(4-fluorophenyl)pyrrolidin-2-one
CID 110643
4-Aminomethyl-1-phenyl-2-pyrrolidinone
CID 132833
(3S,5S)-N-phenyl-5-(pyrrolidin-1-ylcarbonyl)pyrrolidine-3-carboxamide
CID 23646020
N1-(3-fluorophenyl)-N2-(3-(2-oxopyrrolidin-1-yl)propyl)oxalamide
CID 7292824
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-fluorophenyl)butanamide
CID 6463330
N-cyclopentyl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6493306
N-(2-Fluorophenyl)-N'-[3-(2-oxo-1-pyrrolidinyl)propyl]urea
CID 24234782
N-butan-2-yl-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2927243

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one (CID 121229716) is 2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one is O=C1CC2(CCNC2)CN1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is SCKCIDDVRNYOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-10-1-3-11(4-2-10)16-9-13(7-12(16)17)5-6-15-8-13/h1-4,15H,5-9H2.
What are the key properties of 2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one?
2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 234.27 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 121229716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).