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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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).