N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide

C22H28N2O — CID 21413261

IUPACN-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide
SMILESCc1ccc(CCN2CCC(NC(=O)c3ccccc3)CC2)cc1C
InChIInChI=1S/C22H28N2O/c1-17-8-9-19(16-18(17)2)10-13-24-14-11-21(12-15-24)23-22(25)20-6-4-3-5-7-20/h3-9,16,21H,10-15H2,1-2H3,(H,23,25)
InChIKeyUWIJBSDELCGYMG-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.74
Rot. Bonds5

About N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide

N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide (PubChem CID 21413261) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide
PubChem CID21413261
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide
SMILESCc1ccc(CCN2CCC(NC(=O)c3ccccc3)CC2)cc1C
InChIInChI=1S/C22H28N2O/c1-17-8-9-19(16-18(17)2)10-13-24-14-11-21(12-15-24)23-22(25)20-6-4-3-5-7-20/h3-9,16,21H,10-15H2,1-2H3,(H,23,25)
InChIKeyUWIJBSDELCGYMG-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]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-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-ol
CID 82475686
2,5-dimethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 175649732
4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
CID 112822743
N-[1-[2-(3H-inden-1-yl)ethyl]piperidin-4-yl]benzamide
CID 21430607
N-[1-[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33105307
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide (CID 21413261) is N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide is Cc1ccc(CCN2CCC(NC(=O)c3ccccc3)CC2)cc1C.
What is the InChIKey of N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide?
The InChIKey is UWIJBSDELCGYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17-8-9-19(16-18(17)2)10-13-24-14-11-21(12-15-24)23-22(25)20-6-4-3-5-7-20/h3-9,16,21H,10-15H2,1-2H3,(H,23,25).
What are the key properties of N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide?
N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide has a molecular weight of 336.48 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 21413261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).