N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide

C22H28N2O3 — CID 55644626

IUPACN-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCCN(Cc3ccccc3)C2)c(OC)c1
InChIInChI=1S/C22H28N2O3/c1-26-20-11-10-18(21(14-20)27-2)13-22(25)23-19-9-6-12-24(16-19)15-17-7-4-3-5-8-17/h3-5,7-8,10-11,14,19H,6,9,12-13,15-16H2,1-2H3,(H,23,25)
InChIKeyXTYTYJATDWNBIE-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.03
Rot. Bonds7

About N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide

N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide (PubChem CID 55644626) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide
PubChem CID55644626
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCCN(Cc3ccccc3)C2)c(OC)c1
InChIInChI=1S/C22H28N2O3/c1-26-20-11-10-18(21(14-20)27-2)13-22(25)23-19-9-6-12-24(16-19)15-17-7-4-3-5-8-17/h3-5,7-8,10-11,14,19H,6,9,12-13,15-16H2,1-2H3,(H,23,25)
InChIKeyXTYTYJATDWNBIE-UHFFFAOYSA-N
XLogP3.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide 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

2-(2,4-dimethoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 91831148
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
CID 25325208
2-(2,4-dimethoxyphenyl)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947426
1-[(2,4-dimethoxyphenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 75493797
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097
2-(4-aminophenoxy)-N-(1-benzylpiperidin-3-yl)acetamide
CID 113239292
2-(2-aminoethoxy)-N-(1-benzylpyrrolidin-3-yl)-4-methoxybenzamide
CID 118784879
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 25302311

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide (CID 55644626) is N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NC2CCCN(Cc3ccccc3)C2)c(OC)c1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is XTYTYJATDWNBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-26-20-11-10-18(21(14-20)27-2)13-22(25)23-19-9-6-12-24(16-19)15-17-7-4-3-5-8-17/h3-5,7-8,10-11,14,19H,6,9,12-13,15-16H2,1-2H3,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide?
N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-2-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 55644626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).