4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide

C28H32N4O — CID 92662299

IUPAC4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc(C)cc1
InChIInChI=1S/C28H32N4O/c1-22-8-12-26(13-9-22)23(2)29-30-28(33)27-14-10-25(11-15-27)21-32-18-16-31(17-19-32)20-24-6-4-3-5-7-24/h3-15H,16-21H2,1-2H3,(H,30,33)/b29-23-
InChIKeyJROLVWDTUDLJFZ-FAJYDZGRSA-N
MW440.59 g/mol
LogP4.47
Rot. Bonds7

About 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide

4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide (PubChem CID 92662299) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
PubChem CID92662299
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC Name4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
SMILESC/C(=N/NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc(C)cc1
InChIInChI=1S/C28H32N4O/c1-22-8-12-26(13-9-22)23(2)29-30-28(33)27-14-10-25(11-15-27)21-32-18-16-31(17-19-32)20-24-6-4-3-5-7-24/h3-15H,16-21H2,1-2H3,(H,30,33)/b29-23-
InChIKeyJROLVWDTUDLJFZ-FAJYDZGRSA-N
XLogP4.47
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-benzylpiperidin-1-yl)methyl]-N-[(Z)-1-(4-iodophenyl)ethylideneamino]benzamide
CID 98050774
N-[(Z)-1-(4-benzamidophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 5441748
4-(anilinomethyl)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 19579885
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 6384713
N-[1-(4-bromophenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 4268320
N-[1-(4-ethylphenyl)ethylideneamino]benzamide
CID 5085468
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 6156574
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869
2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 1185544
N-[1-(4-methylphenyl)ethylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
CID 4021962
3-(4-benzylpiperazin-1-yl)-2-methyl-1-(4-methylphenyl)propan-1-one
CID 12952312

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide (CID 92662299) is 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide is C/C(=N/NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1ccc(C)cc1.
What is the InChIKey of 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide?
The InChIKey is JROLVWDTUDLJFZ-FAJYDZGRSA-N. The full InChI is InChI=1S/C28H32N4O/c1-22-8-12-26(13-9-22)23(2)29-30-28(33)27-14-10-25(11-15-27)21-32-18-16-31(17-19-32)20-24-6-4-3-5-7-24/h3-15H,16-21H2,1-2H3,(H,30,33)/b29-23-.
What are the key properties of 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide?
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide has a molecular weight of 440.59 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 92662299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).