N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide

C17H19FN4O — CID 121118787

IUPACN-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)nn1
InChIInChI=1S/C17H19FN4O/c1-12-2-7-16(21-20-12)22-10-8-13(9-11-22)17(23)19-15-5-3-14(18)4-6-15/h2-7,13H,8-11H2,1H3,(H,19,23)
InChIKeyFXKHUAPTHBBTKQ-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.78
Rot. Bonds3

About N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide

N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 121118787) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID121118787
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)nn1
InChIInChI=1S/C17H19FN4O/c1-12-2-7-16(21-20-12)22-10-8-13(9-11-22)17(23)19-15-5-3-14(18)4-6-15/h2-7,13H,8-11H2,1H3,(H,19,23)
InChIKeyFXKHUAPTHBBTKQ-UHFFFAOYSA-N
XLogP2.78
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118877
1-(6-methylpyridazin-3-yl)-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 121119048
N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121119033
N-(2,6-dimethylphenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118835
N-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29132243
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029
1-(6-methylpyridazin-3-yl)-N-propan-2-ylpiperidine-4-carboxamide
CID 121118746
1-[6-(4-fluorophenyl)pyrimidin-4-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53061964
(3R)-N-(3,4-difluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 97040572
1-(5-cyano-4-methyl-2-pyridinyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 155951687
1-(6-methylpyridazin-3-yl)-N-propylpiperidine-4-carboxamide
CID 121118861
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide (CID 121118787) is N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide is Cc1ccc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)nn1.
What is the InChIKey of N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is FXKHUAPTHBBTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-12-2-7-16(21-20-12)22-10-8-13(9-11-22)17(23)19-15-5-3-14(18)4-6-15/h2-7,13H,8-11H2,1H3,(H,19,23).
What are the key properties of N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide?
N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 314.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 121118787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).