4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C19H20FN3O3 — CID 118744809

IUPAC4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(COCCN(c3ccccn3)C2)CN1c1cccc(F)c1
InChIInChI=1S/C19H20FN3O3/c20-15-4-3-5-16(10-15)23-13-19(26-11-18(23)24)12-22(8-9-25-14-19)17-6-1-2-7-21-17/h1-7,10H,8-9,11-14H2
InChIKeyDFDDJARAODDFFD-UHFFFAOYSA-N
MW357.38 g/mol
LogP1.86
Rot. Bonds2

About 4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 118744809) has the molecular formula C19H20FN3O3 and a molecular weight of 357.38 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID118744809
Molecular FormulaC19H20FN3O3
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC Name4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(COCCN(c3ccccn3)C2)CN1c1cccc(F)c1
InChIInChI=1S/C19H20FN3O3/c20-15-4-3-5-16(10-15)23-13-19(26-11-18(23)24)12-22(8-9-25-14-19)17-6-1-2-7-21-17/h1-7,10H,8-9,11-14H2
InChIKeyDFDDJARAODDFFD-UHFFFAOYSA-N
XLogP1.86
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one with MolForge

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Related Compounds

4-(3-Fluoro-2-pyridinyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567747
2-Methoxy-N-(1-phenethyl-piperidin-4-yl)-N-pyridin-2-yl-acetamide
CID 14330359
6,6-Dimethyl-4-[5-(2-phenylethynyl)-2-pyridinyl]morpholin-3-one
CID 53494832
N-cyclohexyl-2-[2-[2-[cyclohexyl(pyridin-2-yl)amino]-2-oxoethoxy]ethoxy]-N-pyridin-2-ylacetamide
CID 2998829
2-(2-methoxyethoxy)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 53532402
9-Pyridin-2-yl-4-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97385654
2-Methoxy-1-(4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 97450952
2-methoxy-1-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
CID 97469036
4-[[2-(dimethylamino)-3-pyridinyl]methyl]-N-phenylmorpholine-2-carboxamide
CID 110246615
8-(6-Methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740699
8-(6-Methyl-2-pyridinyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740701
4-(3-Methylphenyl)-8-pyrimidin-4-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740875

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 118744809) is 4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is O=C1COC2(COCCN(c3ccccn3)C2)CN1c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is DFDDJARAODDFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-15-4-3-5-16(10-15)23-13-19(26-11-18(23)24)12-22(8-9-25-14-19)17-6-1-2-7-21-17/h1-7,10H,8-9,11-14H2.
What are the key properties of 4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 357.38 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 118744809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).