2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide

C12H15F3N4O — CID 118585519

IUPAC2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide
SMILESO=C(CC1CCNCC1)Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)9-1-2-10(19-18-9)17-11(20)7-8-3-5-16-6-4-8/h1-2,8,16H,3-7H2,(H,17,19,20)
InChIKeyKXTGFCSKJVKBOI-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.82
Rot. Bonds3

About 2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide

2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide (PubChem CID 118585519) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide
PubChem CID118585519
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide
SMILESO=C(CC1CCNCC1)Nc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)9-1-2-10(19-18-9)17-11(20)7-8-3-5-16-6-4-8/h1-2,8,16H,3-7H2,(H,17,19,20)
InChIKeyKXTGFCSKJVKBOI-UHFFFAOYSA-N
XLogP1.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide?
The IUPAC name of 2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide (CID 118585519) is 2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide is O=C(CC1CCNCC1)Nc1ccc(C(F)(F)F)nn1.
What is the InChIKey of 2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide?
The InChIKey is KXTGFCSKJVKBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)9-1-2-10(19-18-9)17-11(20)7-8-3-5-16-6-4-8/h1-2,8,16H,3-7H2,(H,17,19,20).
What are the key properties of 2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide?
2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide has a molecular weight of 288.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide is sourced from PubChem (CID 118585519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).