3-[3-(4-fluoroanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

C16H19FN4O2 — CID 24817154

IUPAC3-[3-(4-fluoroanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)=NN1
InChIInChI=1S/C16H19FN4O2/c17-11-3-5-12(6-4-11)18-13-2-1-9-21(10-13)16(23)14-7-8-15(22)20-19-14/h3-6,13,18H,1-2,7-10H2,(H,20,22)
InChIKeyLTDGPKIXASFOBN-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.49
Rot. Bonds3

About 3-[3-(4-fluoroanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one

3-[3-(4-fluoroanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 24817154) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 3-[3-(4-fluoroanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(4-fluoroanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID24817154
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name3-[3-(4-fluoroanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)=NN1
InChIInChI=1S/C16H19FN4O2/c17-11-3-5-12(6-4-11)18-13-2-1-9-21(10-13)16(23)14-7-8-15(22)20-19-14/h3-6,13,18H,1-2,7-10H2,(H,20,22)
InChIKeyLTDGPKIXASFOBN-UHFFFAOYSA-N
XLogP1.49
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluoroanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(4-fluoroanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one (CID 24817154) is 3-[3-(4-fluoroanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(4-fluoroanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(4-fluoroanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)=NN1.
What is the InChIKey of 3-[3-(4-fluoroanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is LTDGPKIXASFOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c17-11-3-5-12(6-4-11)18-13-2-1-9-21(10-13)16(23)14-7-8-15(22)20-19-14/h3-6,13,18H,1-2,7-10H2,(H,20,22).
What are the key properties of 3-[3-(4-fluoroanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[3-(4-fluoroanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 318.35 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluoroanilino)piperidine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 24817154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).