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

C20H21FN2O3S — CID 155999673

IUPAC4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C(c1ccsc1)N1CCCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C20H21FN2O3S/c21-16-2-4-17(5-3-16)23-14-20(26-12-18(23)24)7-1-9-22(10-8-20)19(25)15-6-11-27-13-15/h2-6,11,13H,1,7-10,12,14H2
InChIKeyLCZCJTAUGWLYCQ-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.32
Rot. Bonds2

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

4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 155999673) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID155999673
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C(c1ccsc1)N1CCCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C20H21FN2O3S/c21-16-2-4-17(5-3-16)23-14-20(26-12-18(23)24)7-1-9-22(10-8-20)19(25)15-6-11-27-13-15/h2-6,11,13H,1,7-10,12,14H2
InChIKeyLCZCJTAUGWLYCQ-UHFFFAOYSA-N
XLogP3.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
8-benzoyl-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999581
10-(2,2-diphenylacetyl)-4-(4-fluorophenyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110150099
4-(4-fluorophenyl)-8-(5-hydroxypyridine-3-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999615
4-(4-fluorophenyl)-9-(5-methylpyridine-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155999182
8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986175
4-(4-fluorophenyl)-9-(2-methylbenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985953
4-(4-fluorophenyl)-9-(1-methylcyclohexanecarbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155986011
4-(3-fluorophenyl)-10-(4-methylbenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986315
4-(4-fluorophenyl)-8-(2-methylpyridine-4-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999610
4-(4-fluorophenyl)-10-(2-phenoxyacetyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155984314

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 155999673) is 4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is O=C(c1ccsc1)N1CCCC2(CC1)CN(c1ccc(F)cc1)C(=O)CO2.
What is the InChIKey of 4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is LCZCJTAUGWLYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c21-16-2-4-17(5-3-16)23-14-20(26-12-18(23)24)7-1-9-22(10-8-20)19(25)15-6-11-27-13-15/h2-6,11,13H,1,7-10,12,14H2.
What are the key properties of 4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 388.46 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-10-(thiophene-3-carbonyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 155999673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).