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

C23H27FN2O4 — CID 108556268

IUPAC2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
SMILESCCOc1ccc(OCC(=O)NC2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H27FN2O4/c1-2-29-20-7-9-21(10-8-20)30-16-22(27)25-19-11-13-26(14-12-19)23(28)15-17-3-5-18(24)6-4-17/h3-10,19H,2,11-16H2,1H3,(H,25,27)
InChIKeyONJJPOXBAQQWPU-UHFFFAOYSA-N
MW414.48 g/mol
LogP2.95
Rot. Bonds8

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

2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide (PubChem CID 108556268) has the molecular formula C23H27FN2O4 and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
PubChem CID108556268
Molecular FormulaC23H27FN2O4
Molecular Weight414.48 g/mol
Exact Mass414.20
IUPAC Name2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
SMILESCCOc1ccc(OCC(=O)NC2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C23H27FN2O4/c1-2-29-20-7-9-21(10-8-20)30-16-22(27)25-19-11-13-26(14-12-19)23(28)15-17-3-5-18(24)6-4-17/h3-10,19H,2,11-16H2,1H3,(H,25,27)
InChIKeyONJJPOXBAQQWPU-UHFFFAOYSA-N
XLogP2.95
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966
2-(4-chlorophenoxy)-N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108561465
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-phenylacetamide
CID 108551305
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549679
2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108548382
N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556941
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide (CID 108556268) is 2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide is CCOc1ccc(OCC(=O)NC2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide?
The InChIKey is ONJJPOXBAQQWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O4/c1-2-29-20-7-9-21(10-8-20)30-16-22(27)25-19-11-13-26(14-12-19)23(28)15-17-3-5-18(24)6-4-17/h3-10,19H,2,11-16H2,1H3,(H,25,27).
What are the key properties of 2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide?
2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide has a molecular weight of 414.48 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108556268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).