N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide

C22H28N2O2 — CID 16895674

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-26-21-9-7-18(8-10-21)15-22(25)23-16-19-11-13-24(14-12-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H,23,25)
InChIKeyAKKCQODMUPHEHM-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.27
Rot. Bonds7

About N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide

N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 16895674) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID16895674
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-26-21-9-7-18(8-10-21)15-22(25)23-16-19-11-13-24(14-12-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H,23,25)
InChIKeyAKKCQODMUPHEHM-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
N-[[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 22115368
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-phenylacetamide
CID 60599952
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide
CID 60599829
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
1-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(oxan-4-ylmethyl)urea
CID 138041433
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60586835
3-amino-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119865519
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 60600387

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide (CID 16895674) is N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is AKKCQODMUPHEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-26-21-9-7-18(8-10-21)15-22(25)23-16-19-11-13-24(14-12-19)17-20-5-3-2-4-6-20/h2-10,19H,11-17H2,1H3,(H,23,25).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide?
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 16895674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).