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

C32H36N4O2 — CID 135837710

IUPACN,N-diethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(/C(=N/c3ccc(CN4CCCCC4)cc3)c3ccccc3)c(O)[nH]c2c1
InChIInChI=1S/C32H36N4O2/c1-3-36(4-2)32(38)25-15-18-27-28(21-25)34-31(37)29(27)30(24-11-7-5-8-12-24)33-26-16-13-23(14-17-26)22-35-19-9-6-10-20-35/h5,7-8,11-18,21,34,37H,3-4,6,9-10,19-20,22H2,1-2H3/b33-30+
InChIKeyTULIKPTUEYEEAM-KKYHWDRJSA-N
MW508.67 g/mol
LogP6.51
Rot. Bonds8

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

N,N-diethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide (PubChem CID 135837710) has the molecular formula C32H36N4O2 and a molecular weight of 508.67 g/mol. Its IUPAC name is N,N-diethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide
PubChem CID135837710
Molecular FormulaC32H36N4O2
Molecular Weight508.67 g/mol
Exact Mass508.28
IUPAC NameN,N-diethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(/C(=N/c3ccc(CN4CCCCC4)cc3)c3ccccc3)c(O)[nH]c2c1
InChIInChI=1S/C32H36N4O2/c1-3-36(4-2)32(38)25-15-18-27-28(21-25)34-31(37)29(27)30(24-11-7-5-8-12-24)33-26-16-13-23(14-17-26)22-35-19-9-6-10-20-35/h5,7-8,11-18,21,34,37H,3-4,6,9-10,19-20,22H2,1-2H3/b33-30+
InChIKeyTULIKPTUEYEEAM-KKYHWDRJSA-N
XLogP6.51
TPSA71.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.67
LogP ≤ 56.51
H-Bond Donors ≤ 52
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,N-diethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide?
The IUPAC name of N,N-diethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide (CID 135837710) is N,N-diethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N,N-diethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide?
The canonical SMILES for N,N-diethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide is CCN(CC)C(=O)c1ccc2c(/C(=N/c3ccc(CN4CCCCC4)cc3)c3ccccc3)c(O)[nH]c2c1.
What is the InChIKey of N,N-diethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide?
The InChIKey is TULIKPTUEYEEAM-KKYHWDRJSA-N. The full InChI is InChI=1S/C32H36N4O2/c1-3-36(4-2)32(38)25-15-18-27-28(21-25)34-31(37)29(27)30(24-11-7-5-8-12-24)33-26-16-13-23(14-17-26)22-35-19-9-6-10-20-35/h5,7-8,11-18,21,34,37H,3-4,6,9-10,19-20,22H2,1-2H3/b33-30+.
What are the key properties of N,N-diethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide?
N,N-diethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide has a molecular weight of 508.67 g/mol, XLogP of 6.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-hydroxy-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 135837710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).