[1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone

C16H17FN4O — CID 67173303

IUPAC[1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESNc1ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)nn1
InChIInChI=1S/C16H17FN4O/c17-13-3-1-11(2-4-13)16(22)12-7-9-21(10-8-12)15-6-5-14(18)19-20-15/h1-6,12H,7-10H2,(H2,18,19)
InChIKeyRRCLQQXNEKQMLD-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.30
Rot. Bonds3

About [1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone

[1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone (PubChem CID 67173303) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is [1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
PubChem CID67173303
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name[1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone
SMILESNc1ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)nn1
InChIInChI=1S/C16H17FN4O/c17-13-3-1-11(2-4-13)16(22)12-7-9-21(10-8-12)15-6-5-14(18)19-20-15/h1-6,12H,7-10H2,(H2,18,19)
InChIKeyRRCLQQXNEKQMLD-UHFFFAOYSA-N
XLogP2.30
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118787
6-(4-methylpiperidin-1-yl)pyridazin-3-amine
CID 66520536
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone
CID 70591136
1-[4-(6-aminopyridazin-3-yl)piperazin-1-yl]ethanone
CID 83536152
2-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137262921
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042
(4-fluorophenyl)-[1-(2-hydroxy-5-pyrrolidin-1-ylphenyl)piperidin-4-yl]methanone
CID 130450896
(4-fluorophenyl)-[1-(3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]methanone
CID 25233587
[1-[(2R,3R)-8-amino-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]piperidin-4-yl]-(4-fluorophenyl)methanone;dihydrochloride
CID 46197332
[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone
CID 139416326
[1-[4-(3,4-dimethoxyphenyl)phenyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 70424100

Frequently Asked Questions

What is the IUPAC name of [1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone (CID 67173303) is [1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone is Nc1ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)nn1.
What is the InChIKey of [1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone?
The InChIKey is RRCLQQXNEKQMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-13-3-1-11(2-4-13)16(22)12-7-9-21(10-8-12)15-6-5-14(18)19-20-15/h1-6,12H,7-10H2,(H2,18,19).
What are the key properties of [1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone?
[1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone has a molecular weight of 300.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-aminopyridazin-3-yl)piperidin-4-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 67173303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).