7-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione

C16H20FN3O3 — CID 146103364

IUPAC7-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCN(CCN1C(=O)NC2(CC(O)C2)C1=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H20FN3O3/c1-19(10-11-2-4-12(17)5-3-11)6-7-20-14(22)16(18-15(20)23)8-13(21)9-16/h2-5,13,21H,6-10H2,1H3,(H,18,23)
InChIKeyLHWLHWZXDGDVRL-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.70
Rot. Bonds5

About 7-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione

7-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 146103364) has the molecular formula C16H20FN3O3 and a molecular weight of 321.35 g/mol. Its IUPAC name is 7-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name7-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione
PubChem CID146103364
Molecular FormulaC16H20FN3O3
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name7-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione
SMILESCN(CCN1C(=O)NC2(CC(O)C2)C1=O)Cc1ccc(F)cc1
InChIInChI=1S/C16H20FN3O3/c1-19(10-11-2-4-12(17)5-3-11)6-7-20-14(22)16(18-15(20)23)8-13(21)9-16/h2-5,13,21H,6-10H2,1H3,(H,18,23)
InChIKeyLHWLHWZXDGDVRL-UHFFFAOYSA-N
XLogP0.70
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 7-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione (CID 146103364) is 7-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 7-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 7-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione is CN(CCN1C(=O)NC2(CC(O)C2)C1=O)Cc1ccc(F)cc1.
What is the InChIKey of 7-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione?
The InChIKey is LHWLHWZXDGDVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O3/c1-19(10-11-2-4-12(17)5-3-11)6-7-20-14(22)16(18-15(20)23)8-13(21)9-16/h2-5,13,21H,6-10H2,1H3,(H,18,23).
What are the key properties of 7-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione?
7-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 321.35 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-hydroxy-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 146103364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).