N-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide

C29H31N5O — CID 46187414

IUPACN-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide
SMILESCc1ccc(N/N=C(C(\C=C\c2ccccc2)=N/NC(=O)c2ccccc2)/N2CCCCC2)cc1
InChIInChI=1S/C29H31N5O/c1-23-15-18-26(19-16-23)30-32-28(34-21-9-4-10-22-34)27(20-17-24-11-5-2-6-12-24)31-33-29(35)25-13-7-3-8-14-25/h2-3,5-8,11-20,30H,4,9-10,21-22H2,1H3,(H,33,35)/b20-17+,31-27-,32-28+
InChIKeyYAEQSCRKDVWNIN-FETDISAPSA-N
MW465.60 g/mol
LogP5.71
Rot. Bonds7

About N-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide

N-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide (PubChem CID 46187414) has the molecular formula C29H31N5O and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide.

Molecular Properties

Compound NameN-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide
PubChem CID46187414
Molecular FormulaC29H31N5O
Molecular Weight465.60 g/mol
Exact Mass465.25
IUPAC NameN-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide
SMILESCc1ccc(N/N=C(C(\C=C\c2ccccc2)=N/NC(=O)c2ccccc2)/N2CCCCC2)cc1
InChIInChI=1S/C29H31N5O/c1-23-15-18-26(19-16-23)30-32-28(34-21-9-4-10-22-34)27(20-17-24-11-5-2-6-12-24)31-33-29(35)25-13-7-3-8-14-25/h2-3,5-8,11-20,30H,4,9-10,21-22H2,1H3,(H,33,35)/b20-17+,31-27-,32-28+
InChIKeyYAEQSCRKDVWNIN-FETDISAPSA-N
XLogP5.71
TPSA69.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide?
The IUPAC name of N-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide (CID 46187414) is N-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide.
What is the SMILES notation for N-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide?
The canonical SMILES for N-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide is Cc1ccc(N/N=C(C(\C=C\c2ccccc2)=N/NC(=O)c2ccccc2)/N2CCCCC2)cc1.
What is the InChIKey of N-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide?
The InChIKey is YAEQSCRKDVWNIN-FETDISAPSA-N. The full InChI is InChI=1S/C29H31N5O/c1-23-15-18-26(19-16-23)30-32-28(34-21-9-4-10-22-34)27(20-17-24-11-5-2-6-12-24)31-33-29(35)25-13-7-3-8-14-25/h2-3,5-8,11-20,30H,4,9-10,21-22H2,1H3,(H,33,35)/b20-17+,31-27-,32-28+.
What are the key properties of N-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide?
N-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide has a molecular weight of 465.60 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(E,1E)-1-[(4-methylphenyl)hydrazinylidene]-4-phenyl-1-piperidin-1-ylbut-3-en-2-ylidene]amino]benzamide is sourced from PubChem (CID 46187414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).