N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide

C22H28N2O2 — CID 18678194

IUPACN-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-18(25)23-21-11-13-24(14-12-21)15-16-26-22-9-7-20(8-10-22)17-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3,(H,23,25)
InChIKeyNRPQWVBQYHJTFW-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.26
Rot. Bonds7

About N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide

N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide (PubChem CID 18678194) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide
PubChem CID18678194
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1
InChIInChI=1S/C22H28N2O2/c1-18(25)23-21-11-13-24(14-12-21)15-16-26-22-9-7-20(8-10-22)17-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3,(H,23,25)
InChIKeyNRPQWVBQYHJTFW-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide (CID 18678194) is N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(CCOc2ccc(Cc3ccccc3)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide?
The InChIKey is NRPQWVBQYHJTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-18(25)23-21-11-13-24(14-12-21)15-16-26-22-9-7-20(8-10-22)17-19-5-3-2-4-6-19/h2-10,21H,11-17H2,1H3,(H,23,25).
What are the key properties of N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide?
N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-benzylphenoxy)ethyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 18678194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).