[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone

C20H23FN4O2 — CID 30866775

IUPAC[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)N1CCOCC1
InChIInChI=1S/C20H23FN4O2/c21-17-3-1-15(2-4-17)18-5-6-19(23-22-18)24-9-7-16(8-10-24)20(26)25-11-13-27-14-12-25/h1-6,16H,7-14H2
InChIKeyOYTAZOHKKZJRGA-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.36
Rot. Bonds3

About [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 30866775) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID30866775
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)N1CCOCC1
InChIInChI=1S/C20H23FN4O2/c21-17-3-1-15(2-4-17)18-5-6-19(23-22-18)24-9-7-16(8-10-24)20(26)25-11-13-27-14-12-25/h1-6,16H,7-14H2
InChIKeyOYTAZOHKKZJRGA-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 30866775) is [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)N1CCOCC1.
What is the InChIKey of [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is OYTAZOHKKZJRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-17-3-1-15(2-4-17)18-5-6-19(23-22-18)24-9-7-16(8-10-24)20(26)25-11-13-27-14-12-25/h1-6,16H,7-14H2.
What are the key properties of [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 370.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(4-fluorophenyl)pyridazin-3-yl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 30866775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).