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

C30H32N4O2 — CID 135837928

IUPAC2-hydroxy-N,N-dimethyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide
SMILESCN(C)C(=O)c1ccc2c(/C(=N/c3ccc(CN4CCCCC4)cc3)c3ccccc3)c(O)[nH]c2c1
InChIInChI=1S/C30H32N4O2/c1-33(2)30(36)23-13-16-25-26(19-23)32-29(35)27(25)28(22-9-5-3-6-10-22)31-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,32,35H,4,7-8,17-18,20H2,1-2H3/b31-28+
InChIKeyPJIUVVSYBSODPH-CCFHIKDMSA-N
MW480.61 g/mol
LogP5.73
Rot. Bonds6

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

2-hydroxy-N,N-dimethyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide (PubChem CID 135837928) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide
PubChem CID135837928
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC Name2-hydroxy-N,N-dimethyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide
SMILESCN(C)C(=O)c1ccc2c(/C(=N/c3ccc(CN4CCCCC4)cc3)c3ccccc3)c(O)[nH]c2c1
InChIInChI=1S/C30H32N4O2/c1-33(2)30(36)23-13-16-25-26(19-23)32-29(35)27(25)28(22-9-5-3-6-10-22)31-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,32,35H,4,7-8,17-18,20H2,1-2H3/b31-28+
InChIKeyPJIUVVSYBSODPH-CCFHIKDMSA-N
XLogP5.73
TPSA71.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.73
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 2-hydroxy-N,N-dimethyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide (CID 135837928) is 2-hydroxy-N,N-dimethyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide.
What is the SMILES notation for 2-hydroxy-N,N-dimethyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide is CN(C)C(=O)c1ccc2c(/C(=N/c3ccc(CN4CCCCC4)cc3)c3ccccc3)c(O)[nH]c2c1.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide?
The InChIKey is PJIUVVSYBSODPH-CCFHIKDMSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-33(2)30(36)23-13-16-25-26(19-23)32-29(35)27(25)28(22-9-5-3-6-10-22)31-24-14-11-21(12-15-24)20-34-17-7-4-8-18-34/h3,5-6,9-16,19,32,35H,4,7-8,17-18,20H2,1-2H3/b31-28+.
What are the key properties of 2-hydroxy-N,N-dimethyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide?
2-hydroxy-N,N-dimethyl-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 5.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-3-[C-phenyl-N-[4-(piperidin-1-ylmethyl)phenyl]carbonimidoyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 135837928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).