2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide

C22H28N2O2 — CID 2231395

IUPAC2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c1
InChIInChI=1S/C22H28N2O2/c1-17-12-18(2)14-21(13-17)26-16-22(25)23-20-8-6-19(7-9-20)15-24-10-4-3-5-11-24/h6-9,12-14H,3-5,10-11,15-16H2,1-2H3,(H,23,25)
InChIKeyQECYZYHDCZUOTE-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.31
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide

2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide (PubChem CID 2231395) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
PubChem CID2231395
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c1
InChIInChI=1S/C22H28N2O2/c1-17-12-18(2)14-21(13-17)26-16-22(25)23-20-8-6-19(7-9-20)15-24-10-4-3-5-11-24/h6-9,12-14H,3-5,10-11,15-16H2,1-2H3,(H,23,25)
InChIKeyQECYZYHDCZUOTE-UHFFFAOYSA-N
XLogP4.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2',2''-Dimethoxy-4',4''-biacetanilide
CID 54986
4-(2-Piperidin-1-ylethyl)-7-propyl-1,4-benzoxazin-3-one
CID 59630032
N-(4-methylphenyl)-2-[methyl-[2-(2-phenylphenoxy)acetyl]amino]acetamide
CID 4790602
7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10573576
7-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4-methyl-4H-benzo[1,4]oxazin-3-one
CID 10809876
N-(2,4-dimethylphenyl)-3-phenoxypropanamide
CID 725623
2-(4-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160214
1-(3,4-dihydroquinolin-1(2H)-yl)-2-(o-tolyloxy)ethanone
CID 724133
N-(4-methylphenyl)-2-phenoxyacetamide
CID 689977
N-[4-(4-Methanesulfonyl-piperazin-1-yl)-phenyl]-2-o-tolyloxy-acetamide
CID 655939
N-(3-ethenylphenyl)-2-phenoxyacetamide
CID 2231690
1-[(3-Methylphenoxy)acetyl]-1,2,3,4-tetrahydroquinoline
CID 668306

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide (CID 2231395) is 2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide is Cc1cc(C)cc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is QECYZYHDCZUOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-12-18(2)14-21(13-17)26-16-22(25)23-20-8-6-19(7-9-20)15-24-10-4-3-5-11-24/h6-9,12-14H,3-5,10-11,15-16H2,1-2H3,(H,23,25).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 2231395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).