2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one

C17H23FN2O3 — CID 154846394

IUPAC2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one
SMILESCCC(Oc1ccccc1F)C(=O)N1CCC2(CNCCO2)C1
InChIInChI=1S/C17H23FN2O3/c1-2-14(23-15-6-4-3-5-13(15)18)16(21)20-9-7-17(12-20)11-19-8-10-22-17/h3-6,14,19H,2,7-12H2,1H3
InChIKeyGSTVVGBNKTZJPT-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.57
Rot. Bonds4

About 2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one

2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one (PubChem CID 154846394) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one
PubChem CID154846394
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one
SMILESCCC(Oc1ccccc1F)C(=O)N1CCC2(CNCCO2)C1
InChIInChI=1S/C17H23FN2O3/c1-2-14(23-15-6-4-3-5-13(15)18)16(21)20-9-7-17(12-20)11-19-8-10-22-17/h3-6,14,19H,2,7-12H2,1H3
InChIKeyGSTVVGBNKTZJPT-UHFFFAOYSA-N
XLogP1.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one with MolForge

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Related Compounds

1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 120808959
2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one
CID 53286283
1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 16677782
(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642
(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 9173669
1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 119377005
1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166431
2-[(2S)-4-[(2S)-2-(2-fluorophenoxy)butanoyl]morpholin-2-yl]acetic acid
CID 125119092
tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 82386799
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 119625530
[(1R)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-[(5R)-6-oxa-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 155391489
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 124684153

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one?
The IUPAC name of 2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one (CID 154846394) is 2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one.
What is the SMILES notation for 2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one?
The canonical SMILES for 2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one is CCC(Oc1ccccc1F)C(=O)N1CCC2(CNCCO2)C1.
What is the InChIKey of 2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one?
The InChIKey is GSTVVGBNKTZJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-2-14(23-15-6-4-3-5-13(15)18)16(21)20-9-7-17(12-20)11-19-8-10-22-17/h3-6,14,19H,2,7-12H2,1H3.
What are the key properties of 2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one?
2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one has a molecular weight of 322.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-1-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)butan-1-one is sourced from PubChem (CID 154846394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).