2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide

C23H26N4O3 — CID 135571814

IUPAC2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1C#N)c1ccc(O)c(CN2CCCCC2)c1
InChIInChI=1S/C23H26N4O3/c1-17(25-26-23(29)16-30-22-8-4-3-7-19(22)14-24)18-9-10-21(28)20(13-18)15-27-11-5-2-6-12-27/h3-4,7-10,13,28H,2,5-6,11-12,15-16H2,1H3,(H,26,29)/b25-17+
InChIKeyYQJPLDNDYZGQAG-KOEQRZSOSA-N
MW406.49 g/mol
LogP3.17
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide

2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide (PubChem CID 135571814) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide
PubChem CID135571814
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)COc1ccccc1C#N)c1ccc(O)c(CN2CCCCC2)c1
InChIInChI=1S/C23H26N4O3/c1-17(25-26-23(29)16-30-22-8-4-3-7-19(22)14-24)18-9-10-21(28)20(13-18)15-27-11-5-2-6-12-27/h3-4,7-10,13,28H,2,5-6,11-12,15-16H2,1H3,(H,26,29)/b25-17+
InChIKeyYQJPLDNDYZGQAG-KOEQRZSOSA-N
XLogP3.17
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 766684
2-(2-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142639
2-(2-cyanophenoxy)-N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]acetamide
CID 135680240
2-(2-cyanophenoxy)-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide
CID 9467613
2-(2-cyanophenoxy)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 9467669
4-bromo-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 135839877
methyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate
CID 9075342
2-(2-cyanophenoxy)-N-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]acetamide
CID 9467525
2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide
CID 9467595
4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol
CID 46240602
2-(2-chlorophenoxy)-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethylideneamino]acetamide
CID 9315310
4-[(Z)-3-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(pyrrolidin-1-ylmethyl)phenol
CID 46241970

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide (CID 135571814) is 2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide is C/C(=N\NC(=O)COc1ccccc1C#N)c1ccc(O)c(CN2CCCCC2)c1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide?
The InChIKey is YQJPLDNDYZGQAG-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-17(25-26-23(29)16-30-22-8-4-3-7-19(22)14-24)18-9-10-21(28)20(13-18)15-27-11-5-2-6-12-27/h3-4,7-10,13,28H,2,5-6,11-12,15-16H2,1H3,(H,26,29)/b25-17+.
What are the key properties of 2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide?
2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide has a molecular weight of 406.49 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(E)-1-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]acetamide is sourced from PubChem (CID 135571814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).