2-(4-fluorophenoxy)-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]acetamide

C20H25FN4O4 — CID 91911856

IUPAC2-(4-fluorophenoxy)-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]acetamide
SMILESCOCCn1ncc(N2CCC(NC(=O)COc3ccc(F)cc3)CC2)cc1=O
InChIInChI=1S/C20H25FN4O4/c1-28-11-10-25-20(27)12-17(13-22-25)24-8-6-16(7-9-24)23-19(26)14-29-18-4-2-15(21)3-5-18/h2-5,12-13,16H,6-11,14H2,1H3,(H,23,26)
InChIKeyNOCLRWNRORWNJW-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.19
Rot. Bonds8

About 2-(4-fluorophenoxy)-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]acetamide

2-(4-fluorophenoxy)-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]acetamide (PubChem CID 91911856) has the molecular formula C20H25FN4O4 and a molecular weight of 404.44 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]acetamide
PubChem CID91911856
Molecular FormulaC20H25FN4O4
Molecular Weight404.44 g/mol
Exact Mass404.19
IUPAC Name2-(4-fluorophenoxy)-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]acetamide
SMILESCOCCn1ncc(N2CCC(NC(=O)COc3ccc(F)cc3)CC2)cc1=O
InChIInChI=1S/C20H25FN4O4/c1-28-11-10-25-20(27)12-17(13-22-25)24-8-6-16(7-9-24)23-19(26)14-29-18-4-2-15(21)3-5-18/h2-5,12-13,16H,6-11,14H2,1H3,(H,23,26)
InChIKeyNOCLRWNRORWNJW-UHFFFAOYSA-N
XLogP1.19
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]acetamide (CID 91911856) is 2-(4-fluorophenoxy)-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]acetamide is COCCn1ncc(N2CCC(NC(=O)COc3ccc(F)cc3)CC2)cc1=O.
What is the InChIKey of 2-(4-fluorophenoxy)-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is NOCLRWNRORWNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O4/c1-28-11-10-25-20(27)12-17(13-22-25)24-8-6-16(7-9-24)23-19(26)14-29-18-4-2-15(21)3-5-18/h2-5,12-13,16H,6-11,14H2,1H3,(H,23,26).
What are the key properties of 2-(4-fluorophenoxy)-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]acetamide?
2-(4-fluorophenoxy)-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 404.44 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 91911856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).