6-cyclopropyl-2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one

C15H19F2N3O2 — CID 122279082

IUPAC6-cyclopropyl-2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
SMILESCC(C(=O)N1CCC(F)(F)CC1)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C15H19F2N3O2/c1-10(14(22)19-8-6-15(16,17)7-9-19)20-13(21)5-4-12(18-20)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyQLHYSGMWZRCWQT-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.94
Rot. Bonds3

About 6-cyclopropyl-2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one

6-cyclopropyl-2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one (PubChem CID 122279082) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 6-cyclopropyl-2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
PubChem CID122279082
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name6-cyclopropyl-2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one
SMILESCC(C(=O)N1CCC(F)(F)CC1)n1nc(C2CC2)ccc1=O
InChIInChI=1S/C15H19F2N3O2/c1-10(14(22)19-8-6-15(16,17)7-9-19)20-13(21)5-4-12(18-20)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyQLHYSGMWZRCWQT-UHFFFAOYSA-N
XLogP1.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one (CID 122279082) is 6-cyclopropyl-2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one is CC(C(=O)N1CCC(F)(F)CC1)n1nc(C2CC2)ccc1=O.
What is the InChIKey of 6-cyclopropyl-2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
The InChIKey is QLHYSGMWZRCWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-10(14(22)19-8-6-15(16,17)7-9-19)20-13(21)5-4-12(18-20)11-2-3-11/h4-5,10-11H,2-3,6-9H2,1H3.
What are the key properties of 6-cyclopropyl-2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one?
6-cyclopropyl-2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one has a molecular weight of 311.33 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]pyridazin-3-one is sourced from PubChem (CID 122279082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).