3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide

C23H30N2O — CID 109032554

IUPAC3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN2CCC(Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H30N2O/c1-18-8-9-22(19(2)16-18)24-23(26)12-15-25-13-10-21(11-14-25)17-20-6-4-3-5-7-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,24,26)
InChIKeyMCSVPIVRTWRJLZ-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.59
Rot. Bonds6

About 3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide

3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide (PubChem CID 109032554) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
PubChem CID109032554
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCN2CCC(Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H30N2O/c1-18-8-9-22(19(2)16-18)24-23(26)12-15-25-13-10-21(11-14-25)17-20-6-4-3-5-7-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,24,26)
InChIKeyMCSVPIVRTWRJLZ-UHFFFAOYSA-N
XLogP4.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-benzylpiperidin-1-yl)methyl]-N-(2,4-dimethylphenyl)benzamide
CID 1364318
N-(4-acetamidophenyl)-3-(4-benzylpiperidin-1-yl)propanamide
CID 109032583
N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide
CID 28807910
N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857210
N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
CID 91843408
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
2-(4-benzylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2464605
(Z)-3-(4-benzylpiperidin-1-yl)-2-cyano-N-(2,4-dimethylphenyl)prop-2-enamide
CID 108857771
N-(2,4-dimethylphenyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1,4-diazepan-1-yl]propanamide
CID 177374603
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154390
N-(2,4-dimethylphenyl)-2-(1-methylpiperidin-4-yl)acetamide
CID 95969538
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide (CID 109032554) is 3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCN2CCC(Cc3ccccc3)CC2)c(C)c1.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide?
The InChIKey is MCSVPIVRTWRJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-18-8-9-22(19(2)16-18)24-23(26)12-15-25-13-10-21(11-14-25)17-20-6-4-3-5-7-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,24,26).
What are the key properties of 3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide?
3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide has a molecular weight of 350.51 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 109032554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).