(2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone

C18H21FN4O — CID 127245492

IUPAC(2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
SMILESCNc1ccc(CC2CCCN(C(=O)c3ccccc3F)C2)nn1
InChIInChI=1S/C18H21FN4O/c1-20-17-9-8-14(21-22-17)11-13-5-4-10-23(12-13)18(24)15-6-2-3-7-16(15)19/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,20,22)
InChIKeyOIJDXSXPPVOCGI-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.75
Rot. Bonds4

About (2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone

(2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone (PubChem CID 127245492) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
PubChem CID127245492
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name(2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
SMILESCNc1ccc(CC2CCCN(C(=O)c3ccccc3F)C2)nn1
InChIInChI=1S/C18H21FN4O/c1-20-17-9-8-14(21-22-17)11-13-5-4-10-23(12-13)18(24)15-6-2-3-7-16(15)19/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,20,22)
InChIKeyOIJDXSXPPVOCGI-UHFFFAOYSA-N
XLogP2.75
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 118741492
(3-methoxyphenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
CID 127245494
(3-methoxyphenyl)-[(3R)-3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone
CID 124996699
6-[[1-(2-fluorobenzoyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 110109928
[3-(cyclobutylmethylamino)piperidin-1-yl]-(2-fluorophenyl)methanone
CID 83997186
(2-fluorophenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505160
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
[3-(bromomethyl)pyrrolidin-1-yl]-(2-fluorophenyl)methanone
CID 80667822
2-[3-[(6-anilinopyridazin-3-yl)methyl]piperidin-1-yl]acetamide
CID 110271600
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
[(3R)-3-(2-aminoethyl)piperidin-1-yl]-[2-(2-fluorophenyl)phenyl]methanone
CID 28766858
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid
CID 95804599

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone (CID 127245492) is (2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone is CNc1ccc(CC2CCCN(C(=O)c3ccccc3F)C2)nn1.
What is the InChIKey of (2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is OIJDXSXPPVOCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-20-17-9-8-14(21-22-17)11-13-5-4-10-23(12-13)18(24)15-6-2-3-7-16(15)19/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,20,22).
What are the key properties of (2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone?
(2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 328.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 127245492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).