2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide

C24H27N5O4 — CID 135537774

IUPAC2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide
SMILESCC(=O)Nc1ccc(OCC(=O)/N=N/c2c(O)n(CN3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C24H27N5O4/c1-17(30)25-18-9-11-19(12-10-18)33-15-22(31)26-27-23-20-7-3-4-8-21(20)29(24(23)32)16-28-13-5-2-6-14-28/h3-4,7-12,32H,2,5-6,13-16H2,1H3,(H,25,30)/b27-26+
InChIKeyKCTTWJKTZQPPHK-CYYJNZCTSA-N
MW449.51 g/mol
LogP4.44
Rot. Bonds7

About 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide

2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide (PubChem CID 135537774) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide
PubChem CID135537774
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide
SMILESCC(=O)Nc1ccc(OCC(=O)/N=N/c2c(O)n(CN3CCCCC3)c3ccccc23)cc1
InChIInChI=1S/C24H27N5O4/c1-17(30)25-18-9-11-19(12-10-18)33-15-22(31)26-27-23-20-7-3-4-8-21(20)29(24(23)32)16-28-13-5-2-6-14-28/h3-4,7-12,32H,2,5-6,13-16H2,1H3,(H,25,30)/b27-26+
InChIKeyKCTTWJKTZQPPHK-CYYJNZCTSA-N
XLogP4.44
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]imino-2-[(Z)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide
CID 135965740
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]imino-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide
CID 135526911
[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea
CID 4158642
2-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]oxy-N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]iminoacetamide
CID 135543875
N-(1-ethyl-2-hydroxyindol-3-yl)imino-2-phenoxyacetamide
CID 963929
[2-hydroxy-3-[[2-(4-methylphenoxy)acetyl]diazenyl]indol-1-yl]methyl-dimethylazanium
CID 135848863
N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide
CID 3624940
N-[1-(azepan-1-ium-1-ylmethyl)-2-hydroxyindol-3-yl]imino-2-(4-chlorophenoxy)acetamide
CID 2309760
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide
CID 2024237
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 1366307
methyl 2-[2-hydroxy-3-[[2-(4-propylphenoxy)acetyl]diazenyl]indol-1-yl]acetate
CID 135604049
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide
CID 1138559

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide?
The IUPAC name of 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide (CID 135537774) is 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide.
What is the SMILES notation for 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide?
The canonical SMILES for 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide is CC(=O)Nc1ccc(OCC(=O)/N=N/c2c(O)n(CN3CCCCC3)c3ccccc23)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide?
The InChIKey is KCTTWJKTZQPPHK-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-17(30)25-18-9-11-19(12-10-18)33-15-22(31)26-27-23-20-7-3-4-8-21(20)29(24(23)32)16-28-13-5-2-6-14-28/h3-4,7-12,32H,2,5-6,13-16H2,1H3,(H,25,30)/b27-26+.
What are the key properties of 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide?
2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide has a molecular weight of 449.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide is sourced from PubChem (CID 135537774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).