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

C28H32N2O — CID 1364318

IUPAC4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)c1
InChIInChI=1S/C28H32N2O/c1-21-8-13-27(22(2)18-21)29-28(31)26-11-9-25(10-12-26)20-30-16-14-24(15-17-30)19-23-6-4-3-5-7-23/h3-13,18,24H,14-17,19-20H2,1-2H3,(H,29,31)
InChIKeyWZSNTHQEAXWJEY-UHFFFAOYSA-N
MW412.58 g/mol
LogP6.01
Rot. Bonds6

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

4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide (PubChem CID 1364318) has the molecular formula C28H32N2O and a molecular weight of 412.58 g/mol. Its IUPAC name is 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide
PubChem CID1364318
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC Name4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)c1
InChIInChI=1S/C28H32N2O/c1-21-8-13-27(22(2)18-21)29-28(31)26-11-9-25(10-12-26)20-30-16-14-24(15-17-30)19-23-6-4-3-5-7-23/h3-13,18,24H,14-17,19-20H2,1-2H3,(H,29,31)
InChIKeyWZSNTHQEAXWJEY-UHFFFAOYSA-N
XLogP6.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-benzylpiperidin-1-yl)methyl]-N-[1-(2,4-dimethylphenyl)ethyl]benzamide
CID 53286053
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]benzamide
CID 99132118
3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109032554
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 46043518
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
1-(1-benzylpyrrolidin-3-yl)-3-(2,4-dimethylphenyl)urea
CID 23905235
N-[2-(4-benzylpiperidine-1-carbonyl)phenyl]-4-methylbenzamide
CID 577225
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9275187
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(Z)-1-(4-iodophenyl)ethylideneamino]benzamide
CID 98050774
(Z)-3-(4-benzylpiperidin-1-yl)-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857771
3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55844142
4-benzyl-1-[(4-ethylphenyl)methyl]piperidine;oxalic acid
CID 163328080

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide?
The IUPAC name of 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide (CID 1364318) is 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide.
What is the SMILES notation for 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide?
The canonical SMILES for 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)c1.
What is the InChIKey of 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide?
The InChIKey is WZSNTHQEAXWJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c1-21-8-13-27(22(2)18-21)29-28(31)26-11-9-25(10-12-26)20-30-16-14-24(15-17-30)19-23-6-4-3-5-7-23/h3-13,18,24H,14-17,19-20H2,1-2H3,(H,29,31).
What are the key properties of 4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide?
4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide has a molecular weight of 412.58 g/mol, XLogP of 6.01, 6 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-(2,4-dimethylphenyl)benzamide is sourced from PubChem (CID 1364318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).