N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methoxyacetamide

C18H21FN4O2 — CID 71793989

IUPACN-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1
InChIInChI=1S/C18H21FN4O2/c1-25-12-18(24)20-15-7-9-23(10-8-15)17-6-5-16(21-22-17)13-3-2-4-14(19)11-13/h2-6,11,15H,7-10,12H2,1H3,(H,20,24)
InChIKeyURVIDNGBTLZSRW-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.01
Rot. Bonds5

About N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methoxyacetamide

N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methoxyacetamide (PubChem CID 71793989) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methoxyacetamide
PubChem CID71793989
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1
InChIInChI=1S/C18H21FN4O2/c1-25-12-18(24)20-15-7-9-23(10-8-15)17-6-5-16(21-22-17)13-3-2-4-14(19)11-13/h2-6,11,15H,7-10,12H2,1H3,(H,20,24)
InChIKeyURVIDNGBTLZSRW-UHFFFAOYSA-N
XLogP2.01
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methoxyacetamide?
The IUPAC name of N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methoxyacetamide (CID 71793989) is N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methoxyacetamide?
The canonical SMILES for N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methoxyacetamide is COCC(=O)NC1CCN(c2ccc(-c3cccc(F)c3)nn2)CC1.
What is the InChIKey of N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methoxyacetamide?
The InChIKey is URVIDNGBTLZSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-25-12-18(24)20-15-7-9-23(10-8-15)17-6-5-16(21-22-17)13-3-2-4-14(19)11-13/h2-6,11,15H,7-10,12H2,1H3,(H,20,24).
What are the key properties of N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methoxyacetamide?
N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methoxyacetamide has a molecular weight of 344.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-2-methoxyacetamide is sourced from PubChem (CID 71793989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).