N-ethyl-2-hydroxy-3-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1H-indole-6-carboxamide

C24H28N4O2 — CID 135424663

IUPACN-ethyl-2-hydroxy-3-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1H-indole-6-carboxamide
SMILESCCNC(=O)c1ccc2c(/C=N/c3ccc(CN4CCCCC4)cc3)c(O)[nH]c2c1
InChIInChI=1S/C24H28N4O2/c1-2-25-23(29)18-8-11-20-21(24(30)27-22(20)14-18)15-26-19-9-6-17(7-10-19)16-28-12-4-3-5-13-28/h6-11,14-15,27,30H,2-5,12-13,16H2,1H3,(H,25,29)/b26-15+
InChIKeyFFTJLYZEKMAUOR-CVKSISIWSA-N
MW404.51 g/mol
LogP4.36
Rot. Bonds6

About N-ethyl-2-hydroxy-3-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1H-indole-6-carboxamide

N-ethyl-2-hydroxy-3-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1H-indole-6-carboxamide (PubChem CID 135424663) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-3-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-3-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1H-indole-6-carboxamide
PubChem CID135424663
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-ethyl-2-hydroxy-3-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1H-indole-6-carboxamide
SMILESCCNC(=O)c1ccc2c(/C=N/c3ccc(CN4CCCCC4)cc3)c(O)[nH]c2c1
InChIInChI=1S/C24H28N4O2/c1-2-25-23(29)18-8-11-20-21(24(30)27-22(20)14-18)15-26-19-9-6-17(7-10-19)16-28-12-4-3-5-13-28/h6-11,14-15,27,30H,2-5,12-13,16H2,1H3,(H,25,29)/b26-15+
InChIKeyFFTJLYZEKMAUOR-CVKSISIWSA-N
XLogP4.36
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 16750040
MEK inhibitor
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6-Vinylindirubin
CID 135421128
(Z)-3-(3-(((4-((dimethylamino)methyl)phenyl)amino)(phenyl)methylene)-2-oxoindolin-6-yl)-N-ethylpropiolamide
CID 135567102
(Z)-N-Ethyl-N-methyl-2-oxo-3-(phenyl((4-(piperidin-1-ylmethyl)phenyl)amino)methylene)indoline-6-carboxamide
CID 135837779
3-{4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carboxylic acid amide
CID 11429291
N-(4-(4-hydroxyphenyl)butan-2-yl)-2-(2-phenyl-1H-indol-3-yl)acetamide
CID 44439807
US9682968, Example-25a (+)
CID 90466447
3-[N-[4-[2-(dimethylamino)ethyl-methylsulfonylamino]phenyl]-C-phenylcarbonimidoyl]-N-ethyl-2-hydroxy-1H-indole-6-carboxamide
CID 135399982
4-[(E)-2-[(6E)-6-[(2-hydroxy-1H-indol-3-yl)methylidene]indazol-3-yl]ethenyl]benzoic acid
CID 135988944

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-3-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1H-indole-6-carboxamide?
The IUPAC name of N-ethyl-2-hydroxy-3-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1H-indole-6-carboxamide (CID 135424663) is N-ethyl-2-hydroxy-3-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-ethyl-2-hydroxy-3-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-ethyl-2-hydroxy-3-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1H-indole-6-carboxamide is CCNC(=O)c1ccc2c(/C=N/c3ccc(CN4CCCCC4)cc3)c(O)[nH]c2c1.
What is the InChIKey of N-ethyl-2-hydroxy-3-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1H-indole-6-carboxamide?
The InChIKey is FFTJLYZEKMAUOR-CVKSISIWSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-2-25-23(29)18-8-11-20-21(24(30)27-22(20)14-18)15-26-19-9-6-17(7-10-19)16-28-12-4-3-5-13-28/h6-11,14-15,27,30H,2-5,12-13,16H2,1H3,(H,25,29)/b26-15+.
What are the key properties of N-ethyl-2-hydroxy-3-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1H-indole-6-carboxamide?
N-ethyl-2-hydroxy-3-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1H-indole-6-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-3-[[4-(piperidin-1-ylmethyl)phenyl]iminomethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 135424663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).