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

C14H17F2N3O2 — CID 122246408

IUPAC6-cyclopropyl-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1nc(C2CC2)ccc1=O)N1CCC(F)(F)CC1
InChIInChI=1S/C14H17F2N3O2/c15-14(16)5-7-18(8-6-14)13(21)9-19-12(20)4-3-11(17-19)10-1-2-10/h3-4,10H,1-2,5-9H2
InChIKeyXSAPNPFKCAJFQM-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.38
Rot. Bonds3

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

6-cyclopropyl-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 122246408) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-cyclopropyl-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID122246408
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name6-cyclopropyl-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESO=C(Cn1nc(C2CC2)ccc1=O)N1CCC(F)(F)CC1
InChIInChI=1S/C14H17F2N3O2/c15-14(16)5-7-18(8-6-14)13(21)9-19-12(20)4-3-11(17-19)10-1-2-10/h3-4,10H,1-2,5-9H2
InChIKeyXSAPNPFKCAJFQM-UHFFFAOYSA-N
XLogP1.38
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridazin-3-one (CID 122246408) is 6-cyclopropyl-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridazin-3-one is O=C(Cn1nc(C2CC2)ccc1=O)N1CCC(F)(F)CC1.
What is the InChIKey of 6-cyclopropyl-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is XSAPNPFKCAJFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c15-14(16)5-7-18(8-6-14)13(21)9-19-12(20)4-3-11(17-19)10-1-2-10/h3-4,10H,1-2,5-9H2.
What are the key properties of 6-cyclopropyl-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
6-cyclopropyl-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 297.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 122246408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).