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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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).