5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one

C15H16ClN3O — CID 47151514

IUPAC5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCC(c3ccccc3)CC2)c1Cl
InChIInChI=1S/C15H16ClN3O/c16-14-13(10-17-18-15(14)20)19-8-6-12(7-9-19)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,18,20)
InChIKeyLTPAFZLMJMXZHL-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.81
Rot. Bonds2

About 5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one

5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one (PubChem CID 47151514) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one
PubChem CID47151514
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(N2CCC(c3ccccc3)CC2)c1Cl
InChIInChI=1S/C15H16ClN3O/c16-14-13(10-17-18-15(14)20)19-8-6-12(7-9-19)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,18,20)
InChIKeyLTPAFZLMJMXZHL-UHFFFAOYSA-N
XLogP2.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one (CID 47151514) is 5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one is O=c1[nH]ncc(N2CCC(c3ccccc3)CC2)c1Cl.
What is the InChIKey of 5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one?
The InChIKey is LTPAFZLMJMXZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-14-13(10-17-18-15(14)20)19-8-6-12(7-9-19)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2,(H,18,20).
What are the key properties of 5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one?
5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one has a molecular weight of 289.77 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-phenylpiperidin-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 47151514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).