4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C23H25FN2O4 — CID 155984314

IUPAC4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C(COc1ccccc1)N1CCCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C23H25FN2O4/c24-18-7-9-19(10-8-18)26-17-23(30-16-22(26)28)11-4-13-25(14-12-23)21(27)15-29-20-5-2-1-3-6-20/h1-3,5-10H,4,11-17H2
InChIKeyJMRWMGLSBQGDQF-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.02
Rot. Bonds4

About 4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 155984314) has the molecular formula C23H25FN2O4 and a molecular weight of 412.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID155984314
Molecular FormulaC23H25FN2O4
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C(COc1ccccc1)N1CCCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C23H25FN2O4/c24-18-7-9-19(10-8-18)26-17-23(30-16-22(26)28)11-4-13-25(14-12-23)21(27)15-29-20-5-2-1-3-6-20/h1-3,5-10H,4,11-17H2
InChIKeyJMRWMGLSBQGDQF-UHFFFAOYSA-N
XLogP3.02
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-8-(2-phenoxyacetyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999582
10-(2,2-diphenylacetyl)-4-(4-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110150099
4-(4-fluorophenyl)-8-(2-methoxyacetyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986165
8-benzoyl-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999581
10-[2-(2-oxopyrimidin-1-yl)acetyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986363
8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999479
4-(4-fluorophenyl)-8-[2-(2-methoxyethoxy)acetyl]-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999595
9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985994
8-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999575
4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999580
4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155999673
8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986175

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 155984314) is 4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is O=C(COc1ccccc1)N1CCCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2.
What is the InChIKey of 4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is JMRWMGLSBQGDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4/c24-18-7-9-19(10-8-18)26-17-23(30-16-22(26)28)11-4-13-25(14-12-23)21(27)15-29-20-5-2-1-3-6-20/h1-3,5-10H,4,11-17H2.
What are the key properties of 4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 412.46 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 155984314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).