8-[2-(3-fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C16H19FN2O3 — CID 166328326

IUPAC8-[2-(3-fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)OC1=O
InChIInChI=1S/C16H19FN2O3/c1-18-11-16(22-15(18)21)5-7-19(8-6-16)14(20)10-12-3-2-4-13(17)9-12/h2-4,9H,5-8,10-11H2,1H3
InChIKeyXZQNTIITBWWCJJ-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.81
Rot. Bonds2

About 8-[2-(3-fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-(3-fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 166328326) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 8-[2-(3-fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-(3-fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID166328326
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name8-[2-(3-fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)OC1=O
InChIInChI=1S/C16H19FN2O3/c1-18-11-16(22-15(18)21)5-7-19(8-6-16)14(20)10-12-3-2-4-13(17)9-12/h2-4,9H,5-8,10-11H2,1H3
InChIKeyXZQNTIITBWWCJJ-UHFFFAOYSA-N
XLogP1.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(3-fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-(3-fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 166328326) is 8-[2-(3-fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-(3-fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-(3-fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)OC1=O.
What is the InChIKey of 8-[2-(3-fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is XZQNTIITBWWCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c1-18-11-16(22-15(18)21)5-7-19(8-6-16)14(20)10-12-3-2-4-13(17)9-12/h2-4,9H,5-8,10-11H2,1H3.
What are the key properties of 8-[2-(3-fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-(3-fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 306.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3-fluorophenyl)acetyl]-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 166328326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).