N-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride

C21H27ClN2O — CID 12806265

IUPACN-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)c1ccccc1CN1CCCCC1.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-16-9-8-10-17(2)20(16)22-21(24)19-12-5-4-11-18(19)15-23-13-6-3-7-14-23;/h4-5,8-12H,3,6-7,13-15H2,1-2H3,(H,22,24);1H
InChIKeyMAFIEINHKQMDPA-UHFFFAOYSA-N
MW358.91 g/mol
LogP4.96
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride

N-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride (PubChem CID 12806265) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride
PubChem CID12806265
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC NameN-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)c1ccccc1CN1CCCCC1.Cl
InChIInChI=1S/C21H26N2O.ClH/c1-16-9-8-10-17(2)20(16)22-21(24)19-12-5-4-11-18(19)15-23-13-6-3-7-14-23;/h4-5,8-12H,3,6-7,13-15H2,1-2H3,(H,22,24);1H
InChIKeyMAFIEINHKQMDPA-UHFFFAOYSA-N
XLogP4.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride 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-(2,6-dimethylphenyl)-2-(pyrrolidin-1-ylmethyl)benzamide
CID 12806258
methyl 2-(azepan-1-ylmethyl)benzoate
CID 28748836
2-[[2-(azepan-1-ylmethyl)benzoyl]amino]acetic acid
CID 92922585
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
3-methyl-2-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17499796
(3,4-dimethylphenyl)-[2-(piperidin-1-ylmethyl)phenyl]methanone
CID 24725201
N-(2,6-dimethylphenyl)-5-(pyrrolidin-1-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46341535
N-methyl-2-(morpholin-4-ylmethyl)benzamide
CID 83387497
(3-methylphenyl)-[2-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 24725235
N-(2-ethyl-6-methylphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 8761765
2-benzyl-N-(2-ethyl-6-methylphenyl)benzamide
CID 7900260
2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride (CID 12806265) is N-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride is Cc1cccc(C)c1NC(=O)c1ccccc1CN1CCCCC1.Cl.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride?
The InChIKey is MAFIEINHKQMDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O.ClH/c1-16-9-8-10-17(2)20(16)22-21(24)19-12-5-4-11-18(19)15-23-13-6-3-7-14-23;/h4-5,8-12H,3,6-7,13-15H2,1-2H3,(H,22,24);1H.
What are the key properties of N-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride?
N-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(piperidin-1-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 12806265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).