2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one

C19H24FN3O2 — CID 131696189

IUPAC2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2ccccc2)CC12CCN(C(=O)C1(F)CCC1)C2
InChIInChI=1S/C19H24FN3O2/c1-21-12-16(24)23(15-6-3-2-4-7-15)14-18(21)10-11-22(13-18)17(25)19(20)8-5-9-19/h2-4,6-7H,5,8-14H2,1H3
InChIKeyLXAPYLZUDIXBLS-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.83
Rot. Bonds2

About 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one

2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131696189) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID131696189
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2ccccc2)CC12CCN(C(=O)C1(F)CCC1)C2
InChIInChI=1S/C19H24FN3O2/c1-21-12-16(24)23(15-6-3-2-4-7-15)14-18(21)10-11-22(13-18)17(25)19(20)8-5-9-19/h2-4,6-7H,5,8-14H2,1H3
InChIKeyLXAPYLZUDIXBLS-UHFFFAOYSA-N
XLogP1.83
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131679945
2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131638275
N-cyclopentyl-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131649936
6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 134073025
2-(furan-2-carbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155862799
6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 171696056
N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131655098
6-methyl-9-phenyl-2-(quinoline-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131641720
(5R)-9-(3-fluorophenyl)-6-methyl-2-(naphthalene-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373560
2-(2,2-dimethylpropanoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 155875816
6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 134070557
7-(1-fluorocyclobutanecarbonyl)-2-(4-methylphenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131682245

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (CID 131696189) is 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2ccccc2)CC12CCN(C(=O)C1(F)CCC1)C2.
What is the InChIKey of 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is LXAPYLZUDIXBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-21-12-16(24)23(15-6-3-2-4-7-15)14-18(21)10-11-22(13-18)17(25)19(20)8-5-9-19/h2-4,6-7H,5,8-14H2,1H3.
What are the key properties of 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 345.42 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131696189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).