2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide

C25H36N8O3 — CID 126210067

IUPAC2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide
SMILESCCOc1cc(/C=N/N(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCC(N)=O
InChIInChI=1S/C25H36N8O3/c1-3-35-21-16-19(10-11-20(21)36-18-22(26)34)17-27-31(2)23-28-24(32-12-6-4-7-13-32)30-25(29-23)33-14-8-5-9-15-33/h10-11,16-17H,3-9,12-15,18H2,1-2H3,(H2,26,34)/b27-17+
InChIKeyYJBQNZSESTZFQH-WPWMEQJKSA-N
MW496.62 g/mol
LogP2.59
Rot. Bonds10

About 2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide

2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide (PubChem CID 126210067) has the molecular formula C25H36N8O3 and a molecular weight of 496.62 g/mol. Its IUPAC name is 2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide
PubChem CID126210067
Molecular FormulaC25H36N8O3
Molecular Weight496.62 g/mol
Exact Mass496.29
IUPAC Name2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide
SMILESCCOc1cc(/C=N/N(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCC(N)=O
InChIInChI=1S/C25H36N8O3/c1-3-35-21-16-19(10-11-20(21)36-18-22(26)34)17-27-31(2)23-28-24(32-12-6-4-7-13-32)30-25(29-23)33-14-8-5-9-15-33/h10-11,16-17H,3-9,12-15,18H2,1-2H3,(H2,26,34)/b27-17+
InChIKeyYJBQNZSESTZFQH-WPWMEQJKSA-N
XLogP2.59
TPSA122.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxyphenol
CID 3810486
2-[4-[(E)-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide
CID 126207135
2-[2-ethoxy-4-(hydroxyiminomethyl)phenoxy]acetamide
CID 1223156
ethyl 2-[5-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
CID 126208499
N-[(E)-(4-chlorophenyl)methylideneamino]-N-methyl-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 5339984
4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-methoxy-6-prop-2-enylphenol
CID 137117270
2-[4-[(E)-[(4-anilino-6-piperidin-1-yl-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-ethoxyphenoxy]-1-morpholin-4-ylethanone
CID 126211379
2-[4-[(E)-2-cyano-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]-2-ethoxyphenoxy]acetamide
CID 126377270
4-[[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol
CID 3786990
4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]benzene-1,3-diol
CID 135644327
3-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]prop-2-enoic acid
CID 57361203
ethyl 2-chloro-5-[5-[(Z)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]furan-2-yl]benzoate
CID 126210907

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide?
The IUPAC name of 2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide (CID 126210067) is 2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide.
What is the SMILES notation for 2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide?
The canonical SMILES for 2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide is CCOc1cc(/C=N/N(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1OCC(N)=O.
What is the InChIKey of 2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide?
The InChIKey is YJBQNZSESTZFQH-WPWMEQJKSA-N. The full InChI is InChI=1S/C25H36N8O3/c1-3-35-21-16-19(10-11-20(21)36-18-22(26)34)17-27-31(2)23-28-24(32-12-6-4-7-13-32)30-25(29-23)33-14-8-5-9-15-33/h10-11,16-17H,3-9,12-15,18H2,1-2H3,(H2,26,34)/b27-17+.
What are the key properties of 2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide?
2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide has a molecular weight of 496.62 g/mol, XLogP of 2.59, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]-methylhydrazinylidene]methyl]-2-ethoxyphenoxy]acetamide is sourced from PubChem (CID 126210067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).