N-(2-fluorophenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide

C17H19FN4O2 — CID 91917368

IUPACN-(2-fluorophenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(c2cn[nH]c(=O)c2)C1)Nc1ccccc1F
InChIInChI=1S/C17H19FN4O2/c18-14-5-1-2-6-15(14)20-16(23)8-12-4-3-7-22(11-12)13-9-17(24)21-19-10-13/h1-2,5-6,9-10,12H,3-4,7-8,11H2,(H,20,23)(H,21,24)
InChIKeyMDPJAJZSMFQCTM-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.15
Rot. Bonds4

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

N-(2-fluorophenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide (PubChem CID 91917368) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide
PubChem CID91917368
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-(2-fluorophenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide
SMILESO=C(CC1CCCN(c2cn[nH]c(=O)c2)C1)Nc1ccccc1F
InChIInChI=1S/C17H19FN4O2/c18-14-5-1-2-6-15(14)20-16(23)8-12-4-3-7-22(11-12)13-9-17(24)21-19-10-13/h1-2,5-6,9-10,12H,3-4,7-8,11H2,(H,20,23)(H,21,24)
InChIKeyMDPJAJZSMFQCTM-UHFFFAOYSA-N
XLogP2.15
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide (CID 91917368) is N-(2-fluorophenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide is O=C(CC1CCCN(c2cn[nH]c(=O)c2)C1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is MDPJAJZSMFQCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-14-5-1-2-6-15(14)20-16(23)8-12-4-3-7-22(11-12)13-9-17(24)21-19-10-13/h1-2,5-6,9-10,12H,3-4,7-8,11H2,(H,20,23)(H,21,24).
What are the key properties of N-(2-fluorophenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide?
N-(2-fluorophenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 330.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 91917368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).