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

C22H22FN3O3 — CID 42109408

IUPAC3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)c1ccccc1
InChIInChI=1S/C22H22FN3O3/c23-18-8-6-16(7-9-18)14-26-20(28)22(24-21(26)29)10-12-25(13-11-22)15-19(27)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,24,29)
InChIKeyIEFXHHZMOWMWIL-UHFFFAOYSA-N
MW395.43 g/mol
LogP2.60
Rot. Bonds5

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

3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 42109408) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID42109408
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)c1ccccc1
InChIInChI=1S/C22H22FN3O3/c23-18-8-6-16(7-9-18)14-26-20(28)22(24-21(26)29)10-12-25(13-11-22)15-19(27)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,24,29)
InChIKeyIEFXHHZMOWMWIL-UHFFFAOYSA-N
XLogP2.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 42065010
2-(8-benzyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(4-fluorophenyl)acetamide
CID 16896726
8-benzoyl-3-[(4-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278820
2-[3-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]propyl]benzamide
CID 173148146
8-[(4-fluorophenyl)methyl]-3-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27622487
2-[8-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetonitrile
CID 94753367
2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1-phenylethanone;hydrochloride
CID 67119848
8-(2-chloro-4-fluorobenzoyl)-3-[(4-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109459
3-benzyl-8-(3-chloro-4-fluorobenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278772
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
8-benzoyl-3-[(3-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278819
N-[(1S)-3-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-1-phenylpropyl]benzamide
CID 11433114

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 42109408) is 3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C(CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O)c1ccccc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is IEFXHHZMOWMWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c23-18-8-6-16(7-9-18)14-26-20(28)22(24-21(26)29)10-12-25(13-11-22)15-19(27)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,24,29).
What are the key properties of 3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 395.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-8-phenacyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 42109408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).