3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one

C18H23FINO — CID 70062987

IUPAC3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one
SMILESO=C(CCN1CCC2(CCCC2)CC1)c1ccc(I)cc1F
InChIInChI=1S/C18H23FINO/c19-16-13-14(20)3-4-15(16)17(22)5-10-21-11-8-18(9-12-21)6-1-2-7-18/h3-4,13H,1-2,5-12H2
InChIKeyYALIAMPPLNCVQG-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.66
Rot. Bonds4

About 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one

3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one (PubChem CID 70062987) has the molecular formula C18H23FINO and a molecular weight of 415.29 g/mol. Its IUPAC name is 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one.

Molecular Properties

Compound Name3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one
PubChem CID70062987
Molecular FormulaC18H23FINO
Molecular Weight415.29 g/mol
Exact Mass415.08
IUPAC Name3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one
SMILESO=C(CCN1CCC2(CCCC2)CC1)c1ccc(I)cc1F
InChIInChI=1S/C18H23FINO/c19-16-13-14(20)3-4-15(16)17(22)5-10-21-11-8-18(9-12-21)6-1-2-7-18/h3-4,13H,1-2,5-12H2
InChIKeyYALIAMPPLNCVQG-UHFFFAOYSA-N
XLogP4.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one 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

3-(8-azaspiro[4.5]decan-8-yl)-1-(2-methylphenyl)propan-1-one
CID 63159990
3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
CID 63160113
4-(8-azaspiro[4.5]decan-8-yl)butan-2-one
CID 63158919
1-(2-fluoro-4-methylphenyl)-4-pyrrolidin-1-ylbutan-1-one
CID 58514896
3-(7-azaspiro[3.5]nonan-7-yl)propanoic acid
CID 126990330
1-(5-bromo-2-fluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 82050209
8-azaspiro[4.5]decan-8-yl-(2-fluoro-4-methylphenyl)methanone
CID 79796110
1-(2-fluorophenyl)-3-(4-propylpiperazin-1-yl)propan-1-one
CID 62619011
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231
1-(3,4-difluorophenyl)-3-piperidin-1-ylpropan-1-one
CID 58514245
3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63159878
1-(2,4-difluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81103557

Frequently Asked Questions

What is the IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one?
The IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one (CID 70062987) is 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one.
What is the SMILES notation for 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one?
The canonical SMILES for 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one is O=C(CCN1CCC2(CCCC2)CC1)c1ccc(I)cc1F.
What is the InChIKey of 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one?
The InChIKey is YALIAMPPLNCVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FINO/c19-16-13-14(20)3-4-15(16)17(22)5-10-21-11-8-18(9-12-21)6-1-2-7-18/h3-4,13H,1-2,5-12H2.
What are the key properties of 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one?
3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one has a molecular weight of 415.29 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluoro-4-iodophenyl)propan-1-one is sourced from PubChem (CID 70062987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).