8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C22H24FN3O3 — CID 46977039

IUPAC8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CCN(Cc3cccc(OCc4ccc(F)cc4)c3)CC2)C1=O
InChIInChI=1S/C22H24FN3O3/c1-25-20(27)22(24-21(25)28)9-11-26(12-10-22)14-17-3-2-4-19(13-17)29-15-16-5-7-18(23)8-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,24,28)
InChIKeyIEUOIFPJKKQKKM-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.92
Rot. Bonds5

About 8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 46977039) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID46977039
Molecular FormulaC22H24FN3O3
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)NC2(CCN(Cc3cccc(OCc4ccc(F)cc4)c3)CC2)C1=O
InChIInChI=1S/C22H24FN3O3/c1-25-20(27)22(24-21(25)28)9-11-26(12-10-22)14-17-3-2-4-19(13-17)29-15-16-5-7-18(23)8-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,24,28)
InChIKeyIEUOIFPJKKQKKM-UHFFFAOYSA-N
XLogP2.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-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

Frequently Asked Questions

What is the IUPAC name of 8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 46977039) is 8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)NC2(CCN(Cc3cccc(OCc4ccc(F)cc4)c3)CC2)C1=O.
What is the InChIKey of 8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is IEUOIFPJKKQKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-25-20(27)22(24-21(25)28)9-11-26(12-10-22)14-17-3-2-4-19(13-17)29-15-16-5-7-18(23)8-6-16/h2-8,13H,9-12,14-15H2,1H3,(H,24,28).
What are the key properties of 8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 397.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 46977039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).