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

C22H28N2O2 — CID 27151351

IUPAC2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-26-21-9-7-20(8-10-21)16-23-22(25)17-24-13-11-19(12-14-24)15-18-5-3-2-4-6-18/h2-10,19H,11-17H2,1H3,(H,23,25)
InChIKeyYZOWTKPPYIITGQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.27
Rot. Bonds7

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

2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 27151351) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID27151351
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-26-21-9-7-20(8-10-21)16-23-22(25)17-24-13-11-19(12-14-24)15-18-5-3-2-4-6-18/h2-10,19H,11-17H2,1H3,(H,23,25)
InChIKeyYZOWTKPPYIITGQ-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-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 136524740
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287
N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102925
2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 42851078
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide
CID 60510811
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2573036
N-[(4-methoxyphenyl)methyl]-2-(4-phenacylpiperazin-1-yl)acetamide;hydrochloride
CID 141035311
2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8539276
N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 119922266
4-[2-(benzylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 30940293
2-fluoro-N-[1-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 3221014

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide (CID 27151351) is 2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is YZOWTKPPYIITGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-26-21-9-7-20(8-10-21)16-23-22(25)17-24-13-11-19(12-14-24)15-18-5-3-2-4-6-18/h2-10,19H,11-17H2,1H3,(H,23,25).
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide?
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]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 2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 27151351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).