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

C28H32N2O — CID 46043518

IUPAC4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C28H32N2O/c1-22-6-5-9-26(18-22)20-29-28(31)27-12-10-25(11-13-27)21-30-16-14-24(15-17-30)19-23-7-3-2-4-8-23/h2-13,18,24H,14-17,19-21H2,1H3,(H,29,31)
InChIKeyNFQXFLNLFJIJOR-UHFFFAOYSA-N
MW412.58 g/mol
LogP5.38
Rot. Bonds7

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

4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 46043518) 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-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
PubChem CID46043518
Molecular FormulaC28H32N2O
Molecular Weight412.58 g/mol
Exact Mass412.25
IUPAC Name4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C28H32N2O/c1-22-6-5-9-26(18-22)20-29-28(31)27-12-10-25(11-13-27)21-30-16-14-24(15-17-30)19-23-7-3-2-4-8-23/h2-13,18,24H,14-17,19-21H2,1H3,(H,29,31)
InChIKeyNFQXFLNLFJIJOR-UHFFFAOYSA-N
XLogP5.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.58
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-benzylpiperidin-1-yl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 42850871
N-benzyl-3-[(4-benzylpiperidin-1-yl)methyl]benzamide
CID 42850884
4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide
CID 1364318
4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 42858799
N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
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
4-benzyl-1-[(4-methylphenyl)methyl]piperidine
CID 3498504
4-[[[1-[(4-bromophenyl)methyl]piperidin-4-yl]-(2-ethylbutanoyl)amino]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 69241884
3-[(4-benzylpiperidin-1-yl)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 42850898
4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-[(3-methylphenyl)methyl]benzamide
CID 42858721
4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]methyl]-N-[(2-methylphenyl)methyl]benzamide
CID 45272985

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide (CID 46043518) is 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1.
What is the InChIKey of 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is NFQXFLNLFJIJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O/c1-22-6-5-9-26(18-22)20-29-28(31)27-12-10-25(11-13-27)21-30-16-14-24(15-17-30)19-23-7-3-2-4-8-23/h2-13,18,24H,14-17,19-21H2,1H3,(H,29,31).
What are the key properties of 4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide?
4-[(4-benzylpiperidin-1-yl)methyl]-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 412.58 g/mol, XLogP of 5.38, 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-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 46043518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).