3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C15H18FN3O2 — CID 63289214

IUPAC3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESNCc1cc(F)ccc1CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C15H18FN3O2/c16-12-4-3-10(11(7-12)8-17)9-19-13(20)15(18-14(19)21)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9,17H2,(H,18,21)
InChIKeyZCZJEYUXRJUUHN-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.65
Rot. Bonds3

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

3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 63289214) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID63289214
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESNCc1cc(F)ccc1CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C15H18FN3O2/c16-12-4-3-10(11(7-12)8-17)9-19-13(20)15(18-14(19)21)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9,17H2,(H,18,21)
InChIKeyZCZJEYUXRJUUHN-UHFFFAOYSA-N
XLogP1.65
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[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

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 63289214) is 3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is NCc1cc(F)ccc1CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of 3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is ZCZJEYUXRJUUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-12-4-3-10(11(7-12)8-17)9-19-13(20)15(18-14(19)21)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9,17H2,(H,18,21).
What are the key properties of 3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 291.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-4-fluorophenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 63289214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).