2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(4-fluorophenyl)acetamide

C17H22FN5O2 — CID 91834085

IUPAC2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(4-fluorophenyl)acetamide
SMILESCN(C)C1=NC2(CCN(CC(=O)Nc3ccc(F)cc3)CC2)C(=O)N1
InChIInChI=1S/C17H22FN5O2/c1-22(2)16-20-15(25)17(21-16)7-9-23(10-8-17)11-14(24)19-13-5-3-12(18)4-6-13/h3-6H,7-11H2,1-2H3,(H,19,24)(H,20,21,25)
InChIKeyDDSBPKLUZHCVPS-UHFFFAOYSA-N
MW347.39 g/mol
LogP0.65
Rot. Bonds3

About 2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(4-fluorophenyl)acetamide

2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 91834085) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(4-fluorophenyl)acetamide
PubChem CID91834085
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC Name2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(4-fluorophenyl)acetamide
SMILESCN(C)C1=NC2(CCN(CC(=O)Nc3ccc(F)cc3)CC2)C(=O)N1
InChIInChI=1S/C17H22FN5O2/c1-22(2)16-20-15(25)17(21-16)7-9-23(10-8-17)11-14(24)19-13-5-3-12(18)4-6-13/h3-6H,7-11H2,1-2H3,(H,19,24)(H,20,21,25)
InChIKeyDDSBPKLUZHCVPS-UHFFFAOYSA-N
XLogP0.65
TPSA77.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(4-fluorophenyl)acetamide (CID 91834085) is 2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(4-fluorophenyl)acetamide is CN(C)C1=NC2(CCN(CC(=O)Nc3ccc(F)cc3)CC2)C(=O)N1.
What is the InChIKey of 2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is DDSBPKLUZHCVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-22(2)16-20-15(25)17(21-16)7-9-23(10-8-17)11-14(24)19-13-5-3-12(18)4-6-13/h3-6H,7-11H2,1-2H3,(H,19,24)(H,20,21,25).
What are the key properties of 2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(4-fluorophenyl)acetamide?
2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 347.39 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 91834085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).