2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide

C24H26ClN5O4 — CID 135537782

IUPAC2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide
SMILESCC(=O)Nc1ccc(OCC(=O)/N=N/c2c(O)n(CN3CCCCC3)c3ccc(Cl)cc23)cc1
InChIInChI=1S/C24H26ClN5O4/c1-16(31)26-18-6-8-19(9-7-18)34-14-22(32)27-28-23-20-13-17(25)5-10-21(20)30(24(23)33)15-29-11-3-2-4-12-29/h5-10,13,33H,2-4,11-12,14-15H2,1H3,(H,26,31)/b28-27+
InChIKeyBBKQGIBVCHFQGP-BYYHNAKLSA-N
MW483.96 g/mol
LogP5.09
Rot. Bonds7

About 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide

2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide (PubChem CID 135537782) has the molecular formula C24H26ClN5O4 and a molecular weight of 483.96 g/mol. Its IUPAC name is 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide
PubChem CID135537782
Molecular FormulaC24H26ClN5O4
Molecular Weight483.96 g/mol
Exact Mass483.17
IUPAC Name2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide
SMILESCC(=O)Nc1ccc(OCC(=O)/N=N/c2c(O)n(CN3CCCCC3)c3ccc(Cl)cc23)cc1
InChIInChI=1S/C24H26ClN5O4/c1-16(31)26-18-6-8-19(9-7-18)34-14-22(32)27-28-23-20-13-17(25)5-10-21(20)30(24(23)33)15-29-11-3-2-4-12-29/h5-10,13,33H,2-4,11-12,14-15H2,1H3,(H,26,31)/b28-27+
InChIKeyBBKQGIBVCHFQGP-BYYHNAKLSA-N
XLogP5.09
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.96
LogP ≤ 55.09
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'}

Analyze 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide?
The IUPAC name of 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide (CID 135537782) is 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide.
What is the SMILES notation for 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide?
The canonical SMILES for 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide is CC(=O)Nc1ccc(OCC(=O)/N=N/c2c(O)n(CN3CCCCC3)c3ccc(Cl)cc23)cc1.
What is the InChIKey of 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide?
The InChIKey is BBKQGIBVCHFQGP-BYYHNAKLSA-N. The full InChI is InChI=1S/C24H26ClN5O4/c1-16(31)26-18-6-8-19(9-7-18)34-14-22(32)27-28-23-20-13-17(25)5-10-21(20)30(24(23)33)15-29-11-3-2-4-12-29/h5-10,13,33H,2-4,11-12,14-15H2,1H3,(H,26,31)/b28-27+.
What are the key properties of 2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide?
2-(4-acetamidophenoxy)-N-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide has a molecular weight of 483.96 g/mol, XLogP of 5.09, 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-[5-chloro-2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide is sourced from PubChem (CID 135537782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).