9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one

C23H25FN2O2 — CID 162625491

IUPAC9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1cc(C(=O)N2CCCC23CCCN(Cc2ccccc2)C3=O)ccc1F
InChIInChI=1S/C23H25FN2O2/c1-17-15-19(9-10-20(17)24)21(27)26-14-6-12-23(26)11-5-13-25(22(23)28)16-18-7-3-2-4-8-18/h2-4,7-10,15H,5-6,11-14,16H2,1H3
InChIKeyILERMJPUSJSYRL-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.93
Rot. Bonds3

About 9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one

9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162625491) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162625491
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1cc(C(=O)N2CCCC23CCCN(Cc2ccccc2)C3=O)ccc1F
InChIInChI=1S/C23H25FN2O2/c1-17-15-19(9-10-20(17)24)21(27)26-14-6-12-23(26)11-5-13-25(22(23)28)16-18-7-3-2-4-8-18/h2-4,7-10,15H,5-6,11-14,16H2,1H3
InChIKeyILERMJPUSJSYRL-UHFFFAOYSA-N
XLogP3.93
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-benzyl-1-(3-hydroxybenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 157015677
1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163306693
9-benzyl-1-(5-fluoropyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630199
9-benzyl-1-[1-(methoxymethyl)cyclobutanecarbonyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635914
tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
CID 102146444
1-(1-acetylpiperidine-4-carbonyl)-9-benzyl-1,9-diazaspiro[4.5]decan-10-one
CID 162637207
9-benzyl-N-(4-ethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
CID 162631678
9-benzyl-1-[(4-chlorophenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317012
9-benzyl-1-[2-(3-oxo-1,2-dihydropyrazol-4-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635128
1-(3-chloro-5-methylbenzoyl)-9-propyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629419
1-(2-chloro-6-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164696260
9-(2-phenylethyl)-1-(1H-pyrazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163308559

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162625491) is 9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one is Cc1cc(C(=O)N2CCCC23CCCN(Cc2ccccc2)C3=O)ccc1F.
What is the InChIKey of 9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is ILERMJPUSJSYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-17-15-19(9-10-20(17)24)21(27)26-14-6-12-23(26)11-5-13-25(22(23)28)16-18-7-3-2-4-8-18/h2-4,7-10,15H,5-6,11-14,16H2,1H3.
What are the key properties of 9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 380.46 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162625491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).