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

C30H32N4O2 — CID 135837680

IUPACN-ethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide
SMILESCCNC(=O)c1ccc2c(/C(=N/c3ccc(CN4CCCCC4)cc3)c3ccccc3)c(O)[nH]c2c1
InChIInChI=1S/C30H32N4O2/c1-2-31-29(35)23-13-16-25-26(19-23)33-30(36)27(25)28(22-9-5-3-6-10-22)32-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,33,36H,2,4,7-8,17-18,20H2,1H3,(H,31,35)/b32-28+
InChIKeyHBLRYPOGBDLQBO-VEWQFJOQSA-N
MW480.61 g/mol
LogP5.78
Rot. Bonds7

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

N-ethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide (PubChem CID 135837680) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide
PubChem CID135837680
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC NameN-ethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide
SMILESCCNC(=O)c1ccc2c(/C(=N/c3ccc(CN4CCCCC4)cc3)c3ccccc3)c(O)[nH]c2c1
InChIInChI=1S/C30H32N4O2/c1-2-31-29(35)23-13-16-25-26(19-23)33-30(36)27(25)28(22-9-5-3-6-10-22)32-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,33,36H,2,4,7-8,17-18,20H2,1H3,(H,31,35)/b32-28+
InChIKeyHBLRYPOGBDLQBO-VEWQFJOQSA-N
XLogP5.78
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-ethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide 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 N-ethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide?
The IUPAC name of N-ethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide (CID 135837680) is N-ethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-ethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-ethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide is CCNC(=O)c1ccc2c(/C(=N/c3ccc(CN4CCCCC4)cc3)c3ccccc3)c(O)[nH]c2c1.
What is the InChIKey of N-ethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide?
The InChIKey is HBLRYPOGBDLQBO-VEWQFJOQSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-2-31-29(35)23-13-16-25-26(19-23)33-30(36)27(25)28(22-9-5-3-6-10-22)32-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,33,36H,2,4,7-8,17-18,20H2,1H3,(H,31,35)/b32-28+.
What are the key properties of N-ethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide?
N-ethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 5.78, 7 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-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 135837680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).