N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide

C22H28N2O3 — CID 29291844

IUPACN-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O3/c1-17-8-9-20(21(14-17)26-2)27-16-22(25)23-19-10-12-24(13-11-19)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15-16H2,1-2H3,(H,23,25)
InChIKeyMHCFQBMRWCEBOM-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.16
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide

N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 29291844) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID29291844
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O3/c1-17-8-9-20(21(14-17)26-2)27-16-22(25)23-19-10-12-24(13-11-19)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15-16H2,1-2H3,(H,23,25)
InChIKeyMHCFQBMRWCEBOM-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17250306
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-(1-benzylpiperidin-4-yl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4847857
N-cyclopropyl-2-[[2-(2-methoxy-4-methylphenoxy)acetyl]amino]acetamide
CID 18163671
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55735415
2-(2,4-dimethylphenoxy)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108551090
1-(1-benzylpiperidin-4-yl)-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 112825822
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
CID 8590309
4-(4-cyano-2-methoxyphenoxy)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butanamide
CID 55745478
N-(1-benzylpyrrolidin-3-yl)-2-(2-chlorophenoxy)acetamide
CID 18156311
2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959801

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide (CID 29291844) is N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide is COc1cc(C)ccc1OCC(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is MHCFQBMRWCEBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17-8-9-20(21(14-17)26-2)27-16-22(25)23-19-10-12-24(13-11-19)15-18-6-4-3-5-7-18/h3-9,14,19H,10-13,15-16H2,1-2H3,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 29291844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).