1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one

C16H18F2N2O2 — CID 162629447

IUPAC1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2C(=O)c2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C16H18F2N2O2/c1-19-6-2-4-16(15(19)22)5-3-7-20(16)14(21)11-8-12(17)10-13(18)9-11/h8-10H,2-7H2,1H3
InChIKeyPXIKZSXMUVGWIE-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.19
Rot. Bonds1

About 1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one

1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162629447) has the molecular formula C16H18F2N2O2 and a molecular weight of 308.33 g/mol. Its IUPAC name is 1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162629447
Molecular FormulaC16H18F2N2O2
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2C(=O)c2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C16H18F2N2O2/c1-19-6-2-4-16(15(19)22)5-3-7-20(16)14(21)11-8-12(17)10-13(18)9-11/h8-10H,2-7H2,1H3
InChIKeyPXIKZSXMUVGWIE-UHFFFAOYSA-N
XLogP2.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-1-(5-methylpyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316091
9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162635147
1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 163309328
9-methyl-1-(quinoline-6-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633720
9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162629499
1-(4-fluorobenzoyl)-1,7-diazaspiro[4.4]nonan-6-one
CID 20781160
1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629419
9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630199
1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163306693
1-(3,3-diphenylpropanoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162636157
9-methyl-1-(2-phenoxyacetyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164698220
9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631432

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one (CID 162629447) is 1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one is CN1CCCC2(CCCN2C(=O)c2cc(F)cc(F)c2)C1=O.
What is the InChIKey of 1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is PXIKZSXMUVGWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2/c1-19-6-2-4-16(15(19)22)5-3-7-20(16)14(21)11-8-12(17)10-13(18)9-11/h8-10H,2-7H2,1H3.
What are the key properties of 1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 308.33 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162629447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).