2-(4-fluorophenoxy)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide

C19H21FN4O3 — CID 53161536

IUPAC2-(4-fluorophenoxy)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H21FN4O3/c20-15-4-6-16(7-5-15)27-14-18(25)22-13-19(26)24-11-9-23(10-12-24)17-3-1-2-8-21-17/h1-8H,9-14H2,(H,22,25)
InChIKeyCQXFCOMIMQLMPI-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.06
Rot. Bonds6

About 2-(4-fluorophenoxy)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide

2-(4-fluorophenoxy)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide (PubChem CID 53161536) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
PubChem CID53161536
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name2-(4-fluorophenoxy)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide
SMILESO=C(COc1ccc(F)cc1)NCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H21FN4O3/c20-15-4-6-16(7-5-15)27-14-18(25)22-13-19(26)24-11-9-23(10-12-24)17-3-1-2-8-21-17/h1-8H,9-14H2,(H,22,25)
InChIKeyCQXFCOMIMQLMPI-UHFFFAOYSA-N
XLogP1.06
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide (CID 53161536) is 2-(4-fluorophenoxy)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide is O=C(COc1ccc(F)cc1)NCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide?
The InChIKey is CQXFCOMIMQLMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O3/c20-15-4-6-16(7-5-15)27-14-18(25)22-13-19(26)24-11-9-23(10-12-24)17-3-1-2-8-21-17/h1-8H,9-14H2,(H,22,25).
What are the key properties of 2-(4-fluorophenoxy)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide?
2-(4-fluorophenoxy)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide has a molecular weight of 372.40 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 53161536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).