8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H21FN2O4 — CID 166328338

IUPAC8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(C(=O)c3cccc(C4(F)COC4)c3)CC2)OC1=O
InChIInChI=1S/C18H21FN2O4/c1-20-10-17(25-16(20)23)5-7-21(8-6-17)15(22)13-3-2-4-14(9-13)18(19)11-24-12-18/h2-4,9H,5-8,10-12H2,1H3
InChIKeyRDKDTNHJEKHOLA-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.94
Rot. Bonds2

About 8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 166328338) has the molecular formula C18H21FN2O4 and a molecular weight of 348.37 g/mol. Its IUPAC name is 8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID166328338
Molecular FormulaC18H21FN2O4
Molecular Weight348.37 g/mol
Exact Mass348.15
IUPAC Name8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(C(=O)c3cccc(C4(F)COC4)c3)CC2)OC1=O
InChIInChI=1S/C18H21FN2O4/c1-20-10-17(25-16(20)23)5-7-21(8-6-17)15(22)13-3-2-4-14(9-13)18(19)11-24-12-18/h2-4,9H,5-8,10-12H2,1H3
InChIKeyRDKDTNHJEKHOLA-UHFFFAOYSA-N
XLogP1.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-3-methyl-9-[3-(pyrazol-1-ylmethyl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95723493
3-methyl-9-[3-(2-oxochromen-3-yl)benzoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 171912914
N-[2-methyl-5-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)phenyl]-2-methylsulfanylacetamide
CID 172672339
7-[3-(2-methoxyphenyl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 90648661
(5S)-7-[3-(3,6-dimethylpyrazin-2-yl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125171131
(5R)-7-[3-(2-amino-6-methylpyrimidin-4-yl)benzoyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125178317
7-[2-(hydroxymethyl)-3H-benzimidazole-5-carbonyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56892927
3-methyl-8-[2-(3-methylphenyl)benzoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740003
3-fluoro-5-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carbonyl]benzonitrile
CID 95713207
5-[3-[(5R)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyridine-2-carbonitrile
CID 125442251
5-[3-[(5S)-3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]phenyl]pyridine-2-carbonitrile
CID 125442252
4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide
CID 72848716

Frequently Asked Questions

What is the IUPAC name of 8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 166328338) is 8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(C(=O)c3cccc(C4(F)COC4)c3)CC2)OC1=O.
What is the InChIKey of 8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is RDKDTNHJEKHOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4/c1-20-10-17(25-16(20)23)5-7-21(8-6-17)15(22)13-3-2-4-14(9-13)18(19)11-24-12-18/h2-4,9H,5-8,10-12H2,1H3.
What are the key properties of 8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 348.37 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(3-fluorooxetan-3-yl)benzoyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 166328338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).