4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide

C29H34N4O — CID 92662313

IUPAC4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
SMILESCC(C)c1ccc(/C=N\NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C29H34N4O/c1-23(2)27-12-8-24(9-13-27)20-30-31-29(34)28-14-10-26(11-15-28)22-33-18-16-32(17-19-33)21-25-6-4-3-5-7-25/h3-15,20,23H,16-19,21-22H2,1-2H3,(H,31,34)/b30-20-
InChIKeyJELPCIOFUGPSQC-COEJQBHMSA-N
MW454.62 g/mol
LogP4.89
Rot. Bonds8

About 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide

4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide (PubChem CID 92662313) has the molecular formula C29H34N4O and a molecular weight of 454.62 g/mol. Its IUPAC name is 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
PubChem CID92662313
Molecular FormulaC29H34N4O
Molecular Weight454.62 g/mol
Exact Mass454.27
IUPAC Name4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
SMILESCC(C)c1ccc(/C=N\NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C29H34N4O/c1-23(2)27-12-8-24(9-13-27)20-30-31-29(34)28-14-10-26(11-15-28)22-33-18-16-32(17-19-33)21-25-6-4-3-5-7-25/h3-15,20,23H,16-19,21-22H2,1-2H3,(H,31,34)/b30-20-
InChIKeyJELPCIOFUGPSQC-COEJQBHMSA-N
XLogP4.89
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.89
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'}

Analyze 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromophenyl)methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 3788046
4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98123916
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 6874502
4-[benzyl(methylsulfonyl)amino]-N-[(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 5139007
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 3750438
1-[(4-bromophenyl)methyl]-N-[(4-propan-2-ylphenyl)methylideneamino]piperidine-4-carboxamide
CID 1272047
N-[(Z)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 124578501
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]benzamide
CID 98058706
N-[(4-ethoxyphenyl)methylideneamino]-4-(morpholin-4-ylmethyl)benzamide
CID 3647150
[4-[[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl] acetate
CID 1249388
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(E)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 22193734

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide (CID 92662313) is 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide is CC(C)c1ccc(/C=N\NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide?
The InChIKey is JELPCIOFUGPSQC-COEJQBHMSA-N. The full InChI is InChI=1S/C29H34N4O/c1-23(2)27-12-8-24(9-13-27)20-30-31-29(34)28-14-10-26(11-15-28)22-33-18-16-32(17-19-33)21-25-6-4-3-5-7-25/h3-15,20,23H,16-19,21-22H2,1-2H3,(H,31,34)/b30-20-.
What are the key properties of 4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide?
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide has a molecular weight of 454.62 g/mol, XLogP of 4.89, 8 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)-(4-propan-2-ylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 92662313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).