2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

C15H19N3O3 — CID 70829211

IUPAC2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCOc1cccc(OC)c1C1=NC2(CCNCC2)C(=O)N1
InChIInChI=1S/C15H19N3O3/c1-20-10-4-3-5-11(21-2)12(10)13-17-14(19)15(18-13)6-8-16-9-7-15/h3-5,16H,6-9H2,1-2H3,(H,17,18,19)
InChIKeyUMSKCPBICDUWBE-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.70
Rot. Bonds3

About 2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one

2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 70829211) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID70829211
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCOc1cccc(OC)c1C1=NC2(CCNCC2)C(=O)N1
InChIInChI=1S/C15H19N3O3/c1-20-10-4-3-5-11(21-2)12(10)13-17-14(19)15(18-13)6-8-16-9-7-15/h3-5,16H,6-9H2,1-2H3,(H,17,18,19)
InChIKeyUMSKCPBICDUWBE-UHFFFAOYSA-N
XLogP0.70
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 82290945
(2S)-8-methoxyspiro[3,4-dihydronaphthalene-2,2'-piperidine]-1-one
CID 129389972
7-methoxy-4-methylspiro[1H-indole-3,4'-piperidine]-2-one
CID 84632325
2-[2-(2,4-dichlorophenoxy)propan-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 70933184
(2-methoxyphenyl)-(4-methylpiperidin-4-yl)methanone
CID 116567724
7-methoxyspiro[1,2-dihydroindole-3,4'-piperidine]
CID 138594581
(4E)-2-(2,6-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136895912
3-(3H-benzimidazole-5-carbonyl)-5-methoxyspiro[1,3-benzoxazine-2,4'-piperidine]-4-one
CID 67119742
2-hydroxy-3-methoxy-N-(4-methylpiperidin-4-yl)benzamide
CID 114696306
3-(2-methoxyphenyl)-3-methylpyrrolidine
CID 62354573
3-(2,6-dimethoxyphenyl)cyclopent-2-en-1-one
CID 116811052
5-(2,6-dimethoxyphenyl)-2H-tetrazole
CID 10726952

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 70829211) is 2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is COc1cccc(OC)c1C1=NC2(CCNCC2)C(=O)N1.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is UMSKCPBICDUWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-10-4-3-5-11(21-2)12(10)13-17-14(19)15(18-13)6-8-16-9-7-15/h3-5,16H,6-9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 289.33 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 70829211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).