5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium

C23H25FN5O2+ — CID 10321889

IUPAC5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium
SMILESN#[N+]c1cc(F)ccc1C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C23H24FN5O2/c24-17-8-9-19(20(15-17)27-25)21(30)7-4-12-28-13-10-23(11-14-28)22(31)26-16-29(23)18-5-2-1-3-6-18/h1-3,5-6,8-9,15H,4,7,10-14,16H2/p+1
InChIKeyUYGNAVLMZZZMAW-UHFFFAOYSA-O
MW422.48 g/mol
LogP3.70
Rot. Bonds6

About 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium

5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium (PubChem CID 10321889) has the molecular formula C23H25FN5O2+ and a molecular weight of 422.48 g/mol. Its IUPAC name is 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium.

Molecular Properties

Compound Name5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium
PubChem CID10321889
Molecular FormulaC23H25FN5O2+
Molecular Weight422.48 g/mol
Exact Mass422.20
IUPAC Name5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium
SMILESN#[N+]c1cc(F)ccc1C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C23H24FN5O2/c24-17-8-9-19(20(15-17)27-25)21(30)7-4-12-28-13-10-23(11-14-28)22(31)26-16-29(23)18-5-2-1-3-6-18/h1-3,5-6,8-9,15H,4,7,10-14,16H2/p+1
InChIKeyUYGNAVLMZZZMAW-UHFFFAOYSA-O
XLogP3.70
TPSA80.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium chloride
CID 10321888
2-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]butanoyl]-5-fluorobenzenediazonium chloride
CID 10252564
8-[4-[4-(1,1-difluoroethyl)phenyl]-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 157224254
4-fluoro-2-methoxy-N-[2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]benzamide
CID 21428983
8-(3-chloropropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21453222
8-[3-[2-(2,4-difluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10072817
1-(4-fluorophenyl)-8-[4-(5-methyl-1H-indol-2-yl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 157384099
2-amino-4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;hydrate;hydrochloride
CID 21428955
8-[3-[2-(4-fluoro-2-methylphenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 20560268
2,4-difluoro-N-[2-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide;2,2,2-trifluoroacetic acid
CID 56593077
2-chloro-4-fluoro-N-[2-[1-(4-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]benzamide
CID 21428852
methane;4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)-2,2-diphenylbutanoic acid
CID 159087750

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium?
The IUPAC name of 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium (CID 10321889) is 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium.
What is the SMILES notation for 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium?
The canonical SMILES for 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium is N#[N+]c1cc(F)ccc1C(=O)CCCN1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium?
The InChIKey is UYGNAVLMZZZMAW-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H24FN5O2/c24-17-8-9-19(20(15-17)27-25)21(30)7-4-12-28-13-10-23(11-14-28)22(31)26-16-29(23)18-5-2-1-3-6-18/h1-3,5-6,8-9,15H,4,7,10-14,16H2/p+1.
What are the key properties of 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium?
5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium has a molecular weight of 422.48 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)butanoyl]benzenediazonium is sourced from PubChem (CID 10321889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).