2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide

C23H27FN2O3 — CID 108553901

IUPAC2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
SMILESCCOc1ccc(CC(=O)NC2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H27FN2O3/c1-2-29-21-9-5-17(6-10-21)15-22(27)25-20-11-13-26(14-12-20)23(28)16-18-3-7-19(24)8-4-18/h3-10,20H,2,11-16H2,1H3,(H,25,27)
InChIKeyOLSOQUOJOCFKPT-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.12
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide

2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide (PubChem CID 108553901) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
PubChem CID108553901
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
SMILESCCOc1ccc(CC(=O)NC2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H27FN2O3/c1-2-29-21-9-5-17(6-10-21)15-22(27)25-20-11-13-26(14-12-20)23(28)16-18-3-7-19(24)8-4-18/h3-10,20H,2,11-16H2,1H3,(H,25,27)
InChIKeyOLSOQUOJOCFKPT-UHFFFAOYSA-N
XLogP3.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108556268
2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108548382
2,2-dichloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108565559
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555615
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide
CID 108557500
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549679
2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966
ethyl 4-[4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108561322
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108559477
2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108553940
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-phenylacetamide
CID 108551305
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552056

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide (CID 108553901) is 2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide is CCOc1ccc(CC(=O)NC2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide?
The InChIKey is OLSOQUOJOCFKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-2-29-21-9-5-17(6-10-21)15-22(27)25-20-11-13-26(14-12-20)23(28)16-18-3-7-19(24)8-4-18/h3-10,20H,2,11-16H2,1H3,(H,25,27).
What are the key properties of 2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide?
2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide has a molecular weight of 398.48 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108553901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).