1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone

C17H23FN2O3 — CID 109000138

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone
SMILESO=C(CNCCc1ccccc1F)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H23FN2O3/c18-15-4-2-1-3-14(15)5-8-19-13-16(21)20-9-6-17(7-10-20)22-11-12-23-17/h1-4,19H,5-13H2
InChIKeyBQMQYKCOMOOOBV-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.32
Rot. Bonds5

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone (PubChem CID 109000138) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone
PubChem CID109000138
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone
SMILESO=C(CNCCc1ccccc1F)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H23FN2O3/c18-15-4-2-1-3-14(15)5-8-19-13-16(21)20-9-6-17(7-10-20)22-11-12-23-17/h1-4,19H,5-13H2
InChIKeyBQMQYKCOMOOOBV-UHFFFAOYSA-N
XLogP1.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-2-phenylacetamide
CID 3245900
(6S)-6-(4-aminobutyl)-1-[2-(3-fluorophenyl)ethyl]piperazine-2,3-dione
CID 16745900
N-[1-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide
CID 3244514
1-(1,4-Dioxa-8-azaspiro[4.5]decan-8-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 1439923
N-[2-(4-fluorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 4879952
N1-(1,4-dioxaspiro[4.5]decan-2-ylmethyl)-N2-(4-fluorophenethyl)oxalamide
CID 18583850
N-[2-(4-fluorophenyl)ethyl]-2-[(4-methylmorpholin-2-yl)methylamino]acetamide
CID 72140646
2-{[(2,6-Difluorophenyl)methyl]amino}-1-{1,4-dioxa-8-azaspiro[4.5]decan-8-yl}ethan-1-one
CID 60159929
N-cyclopentyl-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenylacetamide
CID 4350624
1-Benzyl-3-(2-{1,4-dioxa-8-azaspiro[4.5]decan-8-YL}-2-oxoethyl)-1-[(2-fluorophenyl)methyl]thiourea
CID 5052674
N~2~-acetyl-N~1~-({1-[2-(3-fluorophenyl)ethyl]-4-piperidinyl}methyl)-N~1~-methylglycinamide
CID 25383309
N-[2-(4-fluorophenyl)cyclopentyl]-2-(2-oxo-1,3-oxazinan-3-yl)acetamide
CID 71922891

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone (CID 109000138) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone is O=C(CNCCc1ccccc1F)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone?
The InChIKey is BQMQYKCOMOOOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c18-15-4-2-1-3-14(15)5-8-19-13-16(21)20-9-6-17(7-10-20)22-11-12-23-17/h1-4,19H,5-13H2.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone has a molecular weight of 322.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(2-fluorophenyl)ethylamino]ethanone is sourced from PubChem (CID 109000138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).