8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one

C16H19FN2O3 — CID 50969847

IUPAC8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1c(F)cccc1C(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C16H19FN2O3/c1-22-14-11(3-2-4-12(14)17)15(21)19-7-5-16(6-8-19)9-13(20)18-10-16/h2-4H,5-10H2,1H3,(H,18,20)
InChIKeyZTAPFCZYDOOZQP-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.58
Rot. Bonds2

About 8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one

8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50969847) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50969847
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCOc1c(F)cccc1C(=O)N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C16H19FN2O3/c1-22-14-11(3-2-4-12(14)17)15(21)19-7-5-16(6-8-19)9-13(20)18-10-16/h2-4H,5-10H2,1H3,(H,18,20)
InChIKeyZTAPFCZYDOOZQP-UHFFFAOYSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 81499414
8-(2,3-dihydroxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 114344968
2-[2-(3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]sulfanylpropanoic acid
CID 119185511
8-(5-methoxy-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70752123
8-[4-[(2-fluorophenyl)methoxy]benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70778858
8-[3-(2-aminoethoxy)-4-methoxybenzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 119063300
8-(4-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one;2,2,2-trifluoroacetic acid
CID 155831091
(3-fluoro-2-methoxyphenyl)-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56905075
8-(2-oxo-1H-pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 103766120
8-[2-(2-phenylethylsulfanyl)pyridine-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 91777588
8-(2,2,3,3-tetramethylcyclopropanecarbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 66476165
8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 50985529

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one (CID 50969847) is 8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one is COc1c(F)cccc1C(=O)N1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ZTAPFCZYDOOZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-22-14-11(3-2-4-12(14)17)15(21)19-7-5-16(6-8-19)9-13(20)18-10-16/h2-4H,5-10H2,1H3,(H,18,20).
What are the key properties of 8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 306.34 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50969847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).