3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C13H14FN3O2 — CID 75356044

IUPAC3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCNC2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C13H14FN3O2/c14-10-3-1-9(2-4-10)7-17-11(18)13(16-12(17)19)5-6-15-8-13/h1-4,15H,5-8H2,(H,16,19)
InChIKeyRTSMHBVKXQWVQV-UHFFFAOYSA-N
MW263.27 g/mol
LogP0.61
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione

3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 75356044) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID75356044
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCNC2)C(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C13H14FN3O2/c14-10-3-1-9(2-4-10)7-17-11(18)13(16-12(17)19)5-6-15-8-13/h1-4,15H,5-8H2,(H,16,19)
InChIKeyRTSMHBVKXQWVQV-UHFFFAOYSA-N
XLogP0.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione 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

(5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 124604264
3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
3-[(5-bromo-3-pyridinyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 104810318
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 110005115
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 27247656
3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 115984165
3-[(2-bromo-5-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62850737
2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide
CID 78989549
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
(3R)-1-benzylspiro[4H-pyrido[2,3-b]pyrazine-3,3'-pyrrolidine]-2-one
CID 137378618

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 75356044) is 3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCNC2)C(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is RTSMHBVKXQWVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-10-3-1-9(2-4-10)7-17-11(18)13(16-12(17)19)5-6-15-8-13/h1-4,15H,5-8H2,(H,16,19).
What are the key properties of 3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 263.27 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 75356044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).