5-[(4-methoxyphenyl)methyl]-2,5,7-triazaspiro[3.5]non-6-en-3-one

C14H17N3O2 — CID 139384003

IUPAC5-[(4-methoxyphenyl)methyl]-2,5,7-triazaspiro[3.5]non-6-en-3-one
SMILESCOc1ccc(CN2C=NCCC23CNC3=O)cc1
InChIInChI=1S/C14H17N3O2/c1-19-12-4-2-11(3-5-12)8-17-10-15-7-6-14(17)9-16-13(14)18/h2-5,10H,6-9H2,1H3,(H,16,18)
InChIKeyYOOPPJYSRAAJSA-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.80
Rot. Bonds3

About 5-[(4-methoxyphenyl)methyl]-2,5,7-triazaspiro[3.5]non-6-en-3-one

5-[(4-methoxyphenyl)methyl]-2,5,7-triazaspiro[3.5]non-6-en-3-one (PubChem CID 139384003) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-2,5,7-triazaspiro[3.5]non-6-en-3-one.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-2,5,7-triazaspiro[3.5]non-6-en-3-one
PubChem CID139384003
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-[(4-methoxyphenyl)methyl]-2,5,7-triazaspiro[3.5]non-6-en-3-one
SMILESCOc1ccc(CN2C=NCCC23CNC3=O)cc1
InChIInChI=1S/C14H17N3O2/c1-19-12-4-2-11(3-5-12)8-17-10-15-7-6-14(17)9-16-13(14)18/h2-5,10H,6-9H2,1H3,(H,16,18)
InChIKeyYOOPPJYSRAAJSA-UHFFFAOYSA-N
XLogP0.80
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxyphenyl)methyl]-1,7-diazaspiro[3.4]octane-2,8-dione
CID 53474889
6-ethyl-1-[(4-methoxyphenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64881075
5-bromo-3-[(4-methoxyphenyl)methyl]-1,6-dihydropyrimidin-2-one
CID 121437389
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
trichloro-[(4-methoxyphenyl)methyl]silane
CID 11482253
2-[(4-methoxyphenyl)methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 139370877
4-[(4-methoxyphenyl)methyl]-6,6-dimethyl-1,4-diazepan-5-one
CID 115100594
3-[(4-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 68626194
2-[(4-methoxyphenyl)methyl]pyrazolidin-3-one
CID 105458883
3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
CID 132575390
5-(4,6-dimethylpyrimidin-2-yl)-1-[(4-methoxyphenyl)methyl]-1,3-diazinane-2,4-dione
CID 3455499
3-[(4-methoxyphenyl)methyl]-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 115067319

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-2,5,7-triazaspiro[3.5]non-6-en-3-one?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-2,5,7-triazaspiro[3.5]non-6-en-3-one (CID 139384003) is 5-[(4-methoxyphenyl)methyl]-2,5,7-triazaspiro[3.5]non-6-en-3-one.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-2,5,7-triazaspiro[3.5]non-6-en-3-one?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-2,5,7-triazaspiro[3.5]non-6-en-3-one is COc1ccc(CN2C=NCCC23CNC3=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-2,5,7-triazaspiro[3.5]non-6-en-3-one?
The InChIKey is YOOPPJYSRAAJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-12-4-2-11(3-5-12)8-17-10-15-7-6-14(17)9-16-13(14)18/h2-5,10H,6-9H2,1H3,(H,16,18).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-2,5,7-triazaspiro[3.5]non-6-en-3-one?
5-[(4-methoxyphenyl)methyl]-2,5,7-triazaspiro[3.5]non-6-en-3-one has a molecular weight of 259.31 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-2,5,7-triazaspiro[3.5]non-6-en-3-one is sourced from PubChem (CID 139384003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).