1-(6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C18H19F3N4O2 — CID 53203789

IUPAC1-(6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)15-6-2-1-4-12(15)9-22-17(27)13-5-3-7-25(11-13)14-8-16(26)24-23-10-14/h1-2,4,6,8,10,13H,3,5,7,9,11H2,(H,22,27)(H,24,26)
InChIKeyWXMOLIZLXWRSKC-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.32
Rot. Bonds4

About 1-(6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

1-(6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 53203789) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID53203789
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name1-(6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)C1CCCN(c2cn[nH]c(=O)c2)C1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)15-6-2-1-4-12(15)9-22-17(27)13-5-3-7-25(11-13)14-8-16(26)24-23-10-14/h1-2,4,6,8,10,13H,3,5,7,9,11H2,(H,22,27)(H,24,26)
InChIKeyWXMOLIZLXWRSKC-UHFFFAOYSA-N
XLogP2.32
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 53203789) is 1-(6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccccc1C(F)(F)F)C1CCCN(c2cn[nH]c(=O)c2)C1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is WXMOLIZLXWRSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)15-6-2-1-4-12(15)9-22-17(27)13-5-3-7-25(11-13)14-8-16(26)24-23-10-14/h1-2,4,6,8,10,13H,3,5,7,9,11H2,(H,22,27)(H,24,26).
What are the key properties of 1-(6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
1-(6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 53203789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).