4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide

C30H36N2O — CID 53286053

IUPAC4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)c1
InChIInChI=1S/C30H36N2O/c1-22-9-14-29(23(2)19-22)24(3)31-30(33)28-12-10-27(11-13-28)21-32-17-15-26(16-18-32)20-25-7-5-4-6-8-25/h4-14,19,24,26H,15-18,20-21H2,1-3H3,(H,31,33)
InChIKeyJSOMSHHSRPNRLN-UHFFFAOYSA-N
MW440.63 g/mol
LogP6.25
Rot. Bonds7

About 4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide

4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide (PubChem CID 53286053) has the molecular formula C30H36N2O and a molecular weight of 440.63 g/mol. Its IUPAC name is 4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
PubChem CID53286053
Molecular FormulaC30H36N2O
Molecular Weight440.63 g/mol
Exact Mass440.28
IUPAC Name4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)c1
InChIInChI=1S/C30H36N2O/c1-22-9-14-29(23(2)19-22)24(3)31-30(33)28-12-10-27(11-13-28)21-32-17-15-26(16-18-32)20-25-7-5-4-6-8-25/h4-14,19,24,26H,15-18,20-21H2,1-3H3,(H,31,33)
InChIKeyJSOMSHHSRPNRLN-UHFFFAOYSA-N
XLogP6.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]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

4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide
CID 99132118
4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide
CID 1364318
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46043518
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(2,4-dimethylphenyl)methyl]piperidin-4-yl]methyl]benzamide
CID 155528494
N-[(1R)-1-(4-bromophenyl)ethyl]-4-[[1-[(4-phenylphenyl)methyl]piperidin-4-yl]methyl]benzamide
CID 155522708
4-[(2S)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 92672177
4-[(2R)-3-benzyl-4-oxo-1,3-thiazolidin-2-yl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 92672179
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
N-[1-(2,4-dimethylphenyl)ethyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46776363
1-[(4-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776367
4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 95092853
1-[(3-chlorophenyl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46776366

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide?
The IUPAC name of 4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide (CID 53286053) is 4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide is Cc1ccc(C(C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)c1.
What is the InChIKey of 4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide?
The InChIKey is JSOMSHHSRPNRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O/c1-22-9-14-29(23(2)19-22)24(3)31-30(33)28-12-10-27(11-13-28)21-32-17-15-26(16-18-32)20-25-7-5-4-6-8-25/h4-14,19,24,26H,15-18,20-21H2,1-3H3,(H,31,33).
What are the key properties of 4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide?
4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide has a molecular weight of 440.63 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 53286053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).