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

C23H25FN2O3 — CID 163319262

IUPAC1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccc(C(=O)N2CCCC23CCCN(c2ccc(C)cc2)C3=O)c(F)c1
InChIInChI=1S/C23H25FN2O3/c1-16-5-7-17(8-6-16)25-13-3-11-23(22(25)28)12-4-14-26(23)21(27)19-10-9-18(29-2)15-20(19)24/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyJQWAKBFHSHNUDK-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.94
Rot. Bonds3

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

1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163319262) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163319262
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccc(C(=O)N2CCCC23CCCN(c2ccc(C)cc2)C3=O)c(F)c1
InChIInChI=1S/C23H25FN2O3/c1-16-5-7-17(8-6-16)25-13-3-11-23(22(25)28)12-4-14-26(23)21(27)19-10-9-18(29-2)15-20(19)24/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyJQWAKBFHSHNUDK-UHFFFAOYSA-N
XLogP3.94
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630087
1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638072
1-(2-ethyl-6-oxo-1H-pyridine-3-carbonyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163313979
1-[2-(3-methoxyphenoxy)ethyl]-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162629767
azocan-1-yl-(2-fluoro-4-methoxyphenyl)methanone
CID 113218844
(2-fluoro-4-methoxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404168
1-(2-methoxyethyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627312
(2-fluoro-4-methoxyphenyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392243
9-(4-methylphenyl)-1-(3-pyridin-4-ylpropanoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626908
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
(2-fluoro-4-methoxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 103709651
9-(4-methylphenyl)-1-[3-(tetrazol-1-yl)propanoyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162634523

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one (CID 163319262) is 1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one is COc1ccc(C(=O)N2CCCC23CCCN(c2ccc(C)cc2)C3=O)c(F)c1.
What is the InChIKey of 1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is JQWAKBFHSHNUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-16-5-7-17(8-6-16)25-13-3-11-23(22(25)28)12-4-14-26(23)21(27)19-10-9-18(29-2)15-20(19)24/h5-10,15H,3-4,11-14H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one?
1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 396.46 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163319262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).