N-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide

C22H28N2O2 — CID 2971139

IUPACN-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-2-26-21-10-8-18(9-11-21)16-22(25)23-20-12-14-24(15-13-20)17-19-6-4-3-5-7-19/h3-11,20H,2,12-17H2,1H3,(H,23,25)
InChIKeyCZPSDTUQYGHSFU-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.41
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide (PubChem CID 2971139) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide
PubChem CID2971139
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-2-26-21-10-8-18(9-11-21)16-22(25)23-20-12-14-24(15-13-20)17-19-6-4-3-5-7-19/h3-11,20H,2,12-17H2,1H3,(H,23,25)
InChIKeyCZPSDTUQYGHSFU-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide (CID 2971139) is N-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide is CCOc1ccc(CC(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide?
The InChIKey is CZPSDTUQYGHSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-26-21-10-8-18(9-11-21)16-22(25)23-20-12-14-24(15-13-20)17-19-6-4-3-5-7-19/h3-11,20H,2,12-17H2,1H3,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 2971139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).