1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one

C22H22F2N2O2 — CID 162630087

IUPAC1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc(N2CCCC3(CCCN3C(=O)c3ccc(F)cc3F)C2=O)cc1
InChIInChI=1S/C22H22F2N2O2/c1-15-4-7-17(8-5-15)25-12-2-10-22(21(25)28)11-3-13-26(22)20(27)18-9-6-16(23)14-19(18)24/h4-9,14H,2-3,10-13H2,1H3
InChIKeyJIHMCPIEHDKWPI-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.08
Rot. Bonds2

About 1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one

1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162630087) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162630087
Molecular FormulaC22H22F2N2O2
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1ccc(N2CCCC3(CCCN3C(=O)c3ccc(F)cc3F)C2=O)cc1
InChIInChI=1S/C22H22F2N2O2/c1-15-4-7-17(8-5-15)25-12-2-10-22(21(25)28)11-3-13-26(22)20(27)18-9-6-16(23)14-19(18)24/h4-9,14H,2-3,10-13H2,1H3
InChIKeyJIHMCPIEHDKWPI-UHFFFAOYSA-N
XLogP4.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163319262
1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163313979
1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638072
9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626908
9-(4-methylphenyl)-1-[2-[methyl(pyridin-4-ylmethyl)amino]acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162626511
(2,2-dimethylpyrrolidin-1-yl)-(4-fluoro-2-methylphenyl)methanone
CID 112702642
9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162634523
1-(4-fluoro-2-methoxybenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163312104
1-(2-methoxyethyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627312
1-[(3-hydroxyphenyl)methyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627322
1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one
CID 146432816
1-(2-chloro-5-methylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 163317759

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162630087) is 1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one is Cc1ccc(N2CCCC3(CCCN3C(=O)c3ccc(F)cc3F)C2=O)cc1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is JIHMCPIEHDKWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c1-15-4-7-17(8-5-15)25-12-2-10-22(21(25)28)11-3-13-26(22)20(27)18-9-6-16(23)14-19(18)24/h4-9,14H,2-3,10-13H2,1H3.
What are the key properties of 1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 384.43 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162630087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).