8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one

C20H20FN3O — CID 53029544

IUPAC8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
SMILESO=C1NC2(CCN(Cc3ccc(F)cc3)CC2)N=C1c1ccccc1
InChIInChI=1S/C20H20FN3O/c21-17-8-6-15(7-9-17)14-24-12-10-20(11-13-24)22-18(19(25)23-20)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,23,25)
InChIKeyOURCZHRYIWSYPP-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.74
Rot. Bonds3

About 8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one

8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one (PubChem CID 53029544) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is 8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
PubChem CID53029544
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
SMILESO=C1NC2(CCN(Cc3ccc(F)cc3)CC2)N=C1c1ccccc1
InChIInChI=1S/C20H20FN3O/c21-17-8-6-15(7-9-17)14-24-12-10-20(11-13-24)22-18(19(25)23-20)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,23,25)
InChIKeyOURCZHRYIWSYPP-UHFFFAOYSA-N
XLogP2.74
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20962387
8-(4-fluorobenzoyl)-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911460
3-(3-methylphenyl)-8-[(3-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20962385
3-(3,4-dimethylphenyl)-8-[(4-methylphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029542
8-[(3-chlorophenyl)methyl]-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029512
2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 20962279
8-(4-ethylphenyl)sulfonyl-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029731
8-(4-fluorobenzoyl)-3-(4-fluorophenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911545
N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
CID 20962287
N-(2-methylphenyl)-2-(2-oxo-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-8-yl)acetamide
CID 20962188
8-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029492
N-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
CID 20962269

Frequently Asked Questions

What is the IUPAC name of 8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one (CID 53029544) is 8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one is O=C1NC2(CCN(Cc3ccc(F)cc3)CC2)N=C1c1ccccc1.
What is the InChIKey of 8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
The InChIKey is OURCZHRYIWSYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-17-8-6-15(7-9-17)14-24-12-10-20(11-13-24)22-18(19(25)23-20)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,23,25).
What are the key properties of 8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one has a molecular weight of 337.40 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-fluorophenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 53029544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).