N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine

C34H38N4O — CID 84583005

About N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine

N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine (PubChem CID 84583005) has the molecular formula C34H38N4O and a molecular weight of 518.71 g/mol. Its IUPAC name is N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine.

Molecular Properties

• Compound Name: N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine
• PubChem CID: 84583005
• Molecular Formula: C34H38N4O
• Molecular Weight: 518.71 g/mol
• Exact Mass: 518.30
• IUPAC Name: N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine
• SMILES: C(=NN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1
• InChI: InChI=1S/C34H38N4O/c1-4-10-28(11-5-1)26-31-16-17-32(34(31)37-22-24-39-25-23-37)27-35-38-20-18-36(19-21-38)33(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-15,26-27,33H,16-25H2/b31-26-,35-27?
• InChIKey: MKEZJGOLZRLQFL-YYUYQLJMSA-N
• XLogP: 5.84
• TPSA: 31.31 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.71
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine?

The IUPAC name of N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine (CID 84583005) is N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine.

What is the SMILES notation for N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine?

The canonical SMILES for N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine is C(=NN1CCN(C(c2ccccc2)c2ccccc2)CC1)C1=C(N2CCOCC2)/C(=C\c2ccccc2)CC1.

What is the InChIKey of N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine?

The InChIKey is MKEZJGOLZRLQFL-YYUYQLJMSA-N. The full InChI is InChI=1S/C34H38N4O/c1-4-10-28(11-5-1)26-31-16-17-32(34(31)37-22-24-39-25-23-37)27-35-38-20-18-36(19-21-38)33(29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-15,26-27,33H,16-25H2/b31-26-,35-27?.

What are the key properties of N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine?

N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine has a molecular weight of 518.71 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine is sourced from PubChem (CID 84583005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).