N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide

C26H29N3O — CID 83288344

IUPACN-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide
SMILESCc1ccc(N2CCN(Cc3cccc(C(=O)NCc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C26H29N3O/c1-21-10-12-25(13-11-21)29-16-14-28(15-17-29)20-23-8-5-9-24(18-23)26(30)27-19-22-6-3-2-4-7-22/h2-13,18H,14-17,19-20H2,1H3,(H,27,30)
InChIKeyYHUNATRXUJIMKK-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.25
Rot. Bonds6

About N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide

N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide (PubChem CID 83288344) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide
PubChem CID83288344
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC NameN-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide
SMILESCc1ccc(N2CCN(Cc3cccc(C(=O)NCc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C26H29N3O/c1-21-10-12-25(13-11-21)29-16-14-28(15-17-29)20-23-8-5-9-24(18-23)26(30)27-19-22-6-3-2-4-7-22/h2-13,18H,14-17,19-20H2,1H3,(H,27,30)
InChIKeyYHUNATRXUJIMKK-UHFFFAOYSA-N
XLogP4.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide
CID 42858908
N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108907
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46055736
3-[[4-[4-(methoxyamino)phenyl]piperazin-1-yl]methyl]-N-phenacylbenzamide
CID 167146550
N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide
CID 91479022
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46055817
N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
CID 42850884
N-[(4-chlorophenyl)methyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43920971
N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169913
4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 42858721
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42858807
N-[[3-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108735

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide (CID 83288344) is N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide is Cc1ccc(N2CCN(Cc3cccc(C(=O)NCc4ccccc4)c3)CC2)cc1.
What is the InChIKey of N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is YHUNATRXUJIMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-21-10-12-25(13-11-21)29-16-14-28(15-17-29)20-23-8-5-9-24(18-23)26(30)27-19-22-6-3-2-4-7-22/h2-13,18H,14-17,19-20H2,1H3,(H,27,30).
What are the key properties of N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide?
N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 399.54 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 83288344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).