2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

C22H28N2O2 — CID 38743222

IUPAC2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-18-5-11-21(12-6-18)26-17-22(25)23-15-19-7-9-20(10-8-19)16-24-13-3-2-4-14-24/h5-12H,2-4,13-17H2,1H3,(H,23,25)
InChIKeyVFQDGRKCFNLMQF-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.68
Rot. Bonds7

About 2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide

2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 38743222) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID38743222
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-18-5-11-21(12-6-18)26-17-22(25)23-15-19-7-9-20(10-8-19)16-24-13-3-2-4-14-24/h5-12H,2-4,13-17H2,1H3,(H,23,25)
InChIKeyVFQDGRKCFNLMQF-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8544780
2-(4-bromo-3,5-dimethylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767841
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-(methylamino)acetamide
CID 120704106
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
2-(4-cyanophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 8781293
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
N-[(4-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100539829
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46767062
2-(4-methoxyphenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969090

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide (CID 38743222) is 2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is Cc1ccc(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is VFQDGRKCFNLMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18-5-11-21(12-6-18)26-17-22(25)23-15-19-7-9-20(10-8-19)16-24-13-3-2-4-14-24/h5-12H,2-4,13-17H2,1H3,(H,23,25).
What are the key properties of 2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide?
2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 38743222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).