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

C22H28N2O2 — CID 1048414

IUPAC2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-2-18-8-12-21(13-9-18)26-17-22(25)23-20-10-6-19(7-11-20)16-24-14-4-3-5-15-24/h6-13H,2-5,14-17H2,1H3,(H,23,25)
InChIKeyBZBRAVLRVKTBQT-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.25
Rot. Bonds7

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

2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide (PubChem CID 1048414) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
PubChem CID1048414
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-2-18-8-12-21(13-9-18)26-17-22(25)23-20-10-6-19(7-11-20)16-24-14-4-3-5-15-24/h6-13H,2-5,14-17H2,1H3,(H,23,25)
InChIKeyBZBRAVLRVKTBQT-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide (CID 1048414) is 2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide is CCc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is BZBRAVLRVKTBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-18-8-12-21(13-9-18)26-17-22(25)23-20-10-6-19(7-11-20)16-24-14-4-3-5-15-24/h6-13H,2-5,14-17H2,1H3,(H,23,25).
What are the key properties of 2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide?
2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 1048414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).