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

C22H25N3O3 — CID 20962235

IUPAC3-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
SMILESCOc1ccc(C2=NC3(CCN(Cc4cccc(OC)c4)CC3)NC2=O)cc1
InChIInChI=1S/C22H25N3O3/c1-27-18-8-6-17(7-9-18)20-21(26)24-22(23-20)10-12-25(13-11-22)15-16-4-3-5-19(14-16)28-2/h3-9,14H,10-13,15H2,1-2H3,(H,24,26)
InChIKeyAPYJUPDJHZSTIZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.62
Rot. Bonds5

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

3-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one (PubChem CID 20962235) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
PubChem CID20962235
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one
SMILESCOc1ccc(C2=NC3(CCN(Cc4cccc(OC)c4)CC3)NC2=O)cc1
InChIInChI=1S/C22H25N3O3/c1-27-18-8-6-17(7-9-18)20-21(26)24-22(23-20)10-12-25(13-11-22)15-16-4-3-5-19(14-16)28-2/h3-9,14H,10-13,15H2,1-2H3,(H,24,26)
InChIKeyAPYJUPDJHZSTIZ-UHFFFAOYSA-N
XLogP2.62
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-Benzyl-4-piperidinyl)-2-(4-methoxyphenyl)acetamide
CID 3296345
N-{[1-(4-fluoro-3-methoxybenzyl)piperidin-3-yl]methyl}-2-(4-methoxyphenyl)acetamide
CID 23723676
N-(2-fluorophenyl)-2-[2-(4-methoxyphenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]acetamide
CID 20962241
N-[(4-fluorophenyl)methyl]-2-[3-(4-methoxyphenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]acetamide
CID 20962248
2-[3-(4-fluorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-en-8-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 20962282
2-[2-(3-fluorophenyl)-3-oxo-1,4,8-triazaspiro[4.5]dec-1-en-8-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 20962383
3-(carbamoylamino)-N-[2-(4-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 45802588
8-(2-Fluorobenzyl)-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 53029521
8-[(3-Fluorophenyl)methyl]-3-(4-methoxyphenyl)-1,4,8-triazaspiro[4.5]dec-3-EN-2-one
CID 53029529
8-[(3-Methoxyphenyl)methyl]-3-phenyl-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20962165
3-(3-Methoxyphenyl)-1-{3-phenyl-1-oxa-2,4,8-triazaspiro[4.5]dec-2-EN-8-YL}propan-1-one
CID 91906508
8-[(3,4-Dimethoxyphenyl)acetyl]-3-(4-methylphenyl)-1,4,8-triazaspiro[4.5]dec-3-en-2-one
CID 20911539

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one (CID 20962235) is 3-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one is COc1ccc(C2=NC3(CCN(Cc4cccc(OC)c4)CC3)NC2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
The InChIKey is APYJUPDJHZSTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-27-18-8-6-17(7-9-18)20-21(26)24-22(23-20)10-12-25(13-11-22)15-16-4-3-5-19(14-16)28-2/h3-9,14H,10-13,15H2,1-2H3,(H,24,26).
What are the key properties of 3-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one?
3-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one has a molecular weight of 379.46 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-1,4,8-triazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 20962235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).