9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

C19H23FN2O2 — CID 131679959

IUPAC9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(C1CC(F)C1)N1CCCC2(CCN(c3ccccc3)C2=O)C1
InChIInChI=1S/C19H23FN2O2/c20-15-11-14(12-15)17(23)21-9-4-7-19(13-21)8-10-22(18(19)24)16-5-2-1-3-6-16/h1-3,5-6,14-15H,4,7-13H2
InChIKeyXDQOFIQHHSMZDW-UHFFFAOYSA-N
MW330.40 g/mol
LogP2.78
Rot. Bonds2

About 9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one

9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131679959) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131679959
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(C1CC(F)C1)N1CCCC2(CCN(c3ccccc3)C2=O)C1
InChIInChI=1S/C19H23FN2O2/c20-15-11-14(12-15)17(23)21-9-4-7-19(13-21)8-10-22(18(19)24)16-5-2-1-3-6-16/h1-3,5-6,14-15H,4,7-13H2
InChIKeyXDQOFIQHHSMZDW-UHFFFAOYSA-N
XLogP2.78
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(cyclopropanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 155875537
2-phenyl-9-(pyridazine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131638499
9-(2-ethoxyacetyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738778
tert-butyl (5S)-1-oxo-2-phenyl-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 96531973
9-(3-methoxypropanoyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 118738780
(5R)-2-(2-chlorophenyl)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylic acid
CID 67504947
(5R)-9-(2-hydroxyethyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 97490514
(5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451472
2-[1-(1-oxo-2-phenyl-2,9-diazaspiro[4.5]decan-9-yl)cyclobutyl]acetic acid
CID 131686322
(5R)-9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490320
8-(3-methylpyridine-2-carbonyl)-2-phenyl-2,8-diazaspiro[5.5]undecan-1-one
CID 171688524
3-hydroxy-1-phenyl-3-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 118570550

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one (CID 131679959) is 9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is O=C(C1CC(F)C1)N1CCCC2(CCN(c3ccccc3)C2=O)C1.
What is the InChIKey of 9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is XDQOFIQHHSMZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-15-11-14(12-15)17(23)21-9-4-7-19(13-21)8-10-22(18(19)24)16-5-2-1-3-6-16/h1-3,5-6,14-15H,4,7-13H2.
What are the key properties of 9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one?
9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 330.40 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluorocyclobutanecarbonyl)-2-phenyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131679959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).