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

C19H23FN4O3 — CID 91911790

IUPACN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-fluorophenoxy)acetamide
SMILESCCn1ncc(N2CCC(NC(=O)COc3ccc(F)cc3)CC2)cc1=O
InChIInChI=1S/C19H23FN4O3/c1-2-24-19(26)11-16(12-21-24)23-9-7-15(8-10-23)22-18(25)13-27-17-5-3-14(20)4-6-17/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,22,25)
InChIKeyACPDJVDMMCSEBK-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.57
Rot. Bonds6

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

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-fluorophenoxy)acetamide (PubChem CID 91911790) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-fluorophenoxy)acetamide
PubChem CID91911790
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-fluorophenoxy)acetamide
SMILESCCn1ncc(N2CCC(NC(=O)COc3ccc(F)cc3)CC2)cc1=O
InChIInChI=1S/C19H23FN4O3/c1-2-24-19(26)11-16(12-21-24)23-9-7-15(8-10-23)22-18(25)13-27-17-5-3-14(20)4-6-17/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,22,25)
InChIKeyACPDJVDMMCSEBK-UHFFFAOYSA-N
XLogP1.57
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-fluorophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-fluorophenoxy)acetamide (CID 91911790) is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-fluorophenoxy)acetamide is CCn1ncc(N2CCC(NC(=O)COc3ccc(F)cc3)CC2)cc1=O.
What is the InChIKey of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is ACPDJVDMMCSEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-2-24-19(26)11-16(12-21-24)23-9-7-15(8-10-23)22-18(25)13-27-17-5-3-14(20)4-6-17/h3-6,11-12,15H,2,7-10,13H2,1H3,(H,22,25).
What are the key properties of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-fluorophenoxy)acetamide?
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 374.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 91911790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).