3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one

C17H22N4O2 — CID 24992850

IUPAC3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one
SMILESCC(C)N1CCC(Oc2ccc(-c3ccc(=O)[nH]n3)cn2)CC1
InChIInChI=1S/C17H22N4O2/c1-12(2)21-9-7-14(8-10-21)23-17-6-3-13(11-18-17)15-4-5-16(22)20-19-15/h3-6,11-12,14H,7-10H2,1-2H3,(H,20,22)
InChIKeyCXZTWVPHXXMUCS-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.08
Rot. Bonds4

About 3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one

3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one (PubChem CID 24992850) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one
PubChem CID24992850
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one
SMILESCC(C)N1CCC(Oc2ccc(-c3ccc(=O)[nH]n3)cn2)CC1
InChIInChI=1S/C17H22N4O2/c1-12(2)21-9-7-14(8-10-21)23-17-6-3-13(11-18-17)15-4-5-16(22)20-19-15/h3-6,11-12,14H,7-10H2,1-2H3,(H,20,22)
InChIKeyCXZTWVPHXXMUCS-UHFFFAOYSA-N
XLogP2.08
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one (CID 24992850) is 3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one is CC(C)N1CCC(Oc2ccc(-c3ccc(=O)[nH]n3)cn2)CC1.
What is the InChIKey of 3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one?
The InChIKey is CXZTWVPHXXMUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(2)21-9-7-14(8-10-21)23-17-6-3-13(11-18-17)15-4-5-16(22)20-19-15/h3-6,11-12,14H,7-10H2,1-2H3,(H,20,22).
What are the key properties of 3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one?
3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one has a molecular weight of 314.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-propan-2-ylpiperidin-4-yl)oxy-3-pyridinyl]-1H-pyridazin-6-one is sourced from PubChem (CID 24992850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).