4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

C20H20FN3O3 — CID 155999580

IUPAC4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1ccccn1)N1CCCC2(C1)CN(c1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C20H20FN3O3/c21-15-5-7-16(8-6-15)24-14-20(27-12-18(24)25)9-3-11-23(13-20)19(26)17-4-1-2-10-22-17/h1-2,4-8,10H,3,9,11-14H2
InChIKeyNJMBOAGSJHRDJG-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.26
Rot. Bonds2

About 4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one

4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (PubChem CID 155999580) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
PubChem CID155999580
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
SMILESO=C(c1ccccn1)N1CCCC2(C1)CN(c1ccc(F)cc1)C(=O)CO2
InChIInChI=1S/C20H20FN3O3/c21-15-5-7-16(8-6-15)24-14-20(27-12-18(24)25)9-3-11-23(13-20)19(26)17-4-1-2-10-22-17/h1-2,4-8,10H,3,9,11-14H2
InChIKeyNJMBOAGSJHRDJG-UHFFFAOYSA-N
XLogP2.26
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-benzoyl-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999581
8-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999575
4-(4-fluorophenyl)-8-(2-methylpyridine-4-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999610
4-(4-fluorophenyl)-8-(2-methylpyrazole-3-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999577
8-(1,3-oxazole-4-carbonyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999520
4-(4-fluorophenyl)-8-(2-methoxybenzoyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999569
8-(2,2-dimethylpropanoyl)-4-(4-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986175
4-(4-fluorophenyl)-8-(2-phenoxyacetyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999582
8-(2,4-difluorobenzoyl)-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999467
4-(4-fluorophenyl)-8-(5-hydroxypyridine-3-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999615
8-[2-(4-fluorophenyl)acetyl]-4-phenyl-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155999479
4-(4-fluorophenyl)-8-(2-methoxyacetyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one
CID 155986165

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one (CID 155999580) is 4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is O=C(c1ccccn1)N1CCCC2(C1)CN(c1ccc(F)cc1)C(=O)CO2.
What is the InChIKey of 4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is NJMBOAGSJHRDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O3/c21-15-5-7-16(8-6-15)24-14-20(27-12-18(24)25)9-3-11-23(13-20)19(26)17-4-1-2-10-22-17/h1-2,4-8,10H,3,9,11-14H2.
What are the key properties of 4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one?
4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 369.40 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-(pyridine-2-carbonyl)-1-oxa-4,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 155999580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).