1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one

C20H28FNO3 — CID 110355764

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one
SMILESCC(C)CC(CC(=O)N1CCC2(CC1)OCCO2)c1ccc(F)cc1
InChIInChI=1S/C20H28FNO3/c1-15(2)13-17(16-3-5-18(21)6-4-16)14-19(23)22-9-7-20(8-10-22)24-11-12-25-20/h3-6,15,17H,7-14H2,1-2H3
InChIKeyOHVQJONSLGHPLA-UHFFFAOYSA-N
MW349.45 g/mol
LogP3.71
Rot. Bonds5

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one (PubChem CID 110355764) has the molecular formula C20H28FNO3 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one
PubChem CID110355764
Molecular FormulaC20H28FNO3
Molecular Weight349.45 g/mol
Exact Mass349.21
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one
SMILESCC(C)CC(CC(=O)N1CCC2(CC1)OCCO2)c1ccc(F)cc1
InChIInChI=1S/C20H28FNO3/c1-15(2)13-17(16-3-5-18(21)6-4-16)14-19(23)22-9-7-20(8-10-22)24-11-12-25-20/h3-6,15,17H,7-14H2,1-2H3
InChIKeyOHVQJONSLGHPLA-UHFFFAOYSA-N
XLogP3.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one with MolForge

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Related Compounds

1-(3,3-dimethylmorpholin-4-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one
CID 110353781
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113164363
(3S)-3-(4-fluorophenyl)-5-morpholin-4-yl-5-oxopentanoic acid
CID 94710037
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-propan-2-ylphenoxy)propan-1-one
CID 51095375
2-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]sulfanyl-N-(4-fluorophenyl)acetamide
CID 43057701
N-(4-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2207260
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-propan-2-ylbenzenesulfonamide
CID 112994209
1-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-4-[(4-fluorophenyl)methyl]piperazine-2,3-dione
CID 53063732
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(2-methylpropylamino)ethanone
CID 108993208
N-[(1S)-1-(4-fluorophenyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 28623453
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-methylpropyl)-3-oxopropanamide
CID 108941596
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3-fluorobenzamide
CID 43057717

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one (CID 110355764) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one is CC(C)CC(CC(=O)N1CCC2(CC1)OCCO2)c1ccc(F)cc1.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one?
The InChIKey is OHVQJONSLGHPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FNO3/c1-15(2)13-17(16-3-5-18(21)6-4-16)14-19(23)22-9-7-20(8-10-22)24-11-12-25-20/h3-6,15,17H,7-14H2,1-2H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one has a molecular weight of 349.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(4-fluorophenyl)-5-methylhexan-1-one is sourced from PubChem (CID 110355764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).