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

C25H26ClN3O — CID 42858908

IUPACN-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C25H26ClN3O/c26-23-9-11-24(12-10-23)29-15-13-28(14-16-29)19-21-7-4-8-22(17-21)25(30)27-18-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2,(H,27,30)
InChIKeyGTNRDYBTOVVQRF-UHFFFAOYSA-N
MW419.96 g/mol
LogP4.59
Rot. Bonds6

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

N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide (PubChem CID 42858908) has the molecular formula C25H26ClN3O and a molecular weight of 419.96 g/mol. Its IUPAC name is N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide
PubChem CID42858908
Molecular FormulaC25H26ClN3O
Molecular Weight419.96 g/mol
Exact Mass419.18
IUPAC NameN-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C25H26ClN3O/c26-23-9-11-24(12-10-23)29-15-13-28(14-16-29)19-21-7-4-8-22(17-21)25(30)27-18-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2,(H,27,30)
InChIKeyGTNRDYBTOVVQRF-UHFFFAOYSA-N
XLogP4.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.96
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]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-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide
CID 83288344
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46055817
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92987604
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42858807
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
N-benzyl-3-[[4-(3,3-diphenylpropyl)piperazin-1-yl]methyl]benzamide
CID 91479022
N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
CID 42850884
N-[(4-fluorophenyl)methyl]-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 42858918
N-benzyl-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazole-4-carboxamide
CID 46162321
N-[(4-chlorophenyl)methyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43920971
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2838458

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide (CID 42858908) is N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide is O=C(NCc1ccccc1)c1cccc(CN2CCN(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is GTNRDYBTOVVQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O/c26-23-9-11-24(12-10-23)29-15-13-28(14-16-29)19-21-7-4-8-22(17-21)25(30)27-18-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2,(H,27,30).
What are the key properties of N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide?
N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 419.96 g/mol, XLogP of 4.59, 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-chlorophenyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 42858908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).