2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C15H19F2N3O2 — CID 122280219

IUPAC2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCC(C(=O)N1CCC(F)(F)CC1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C15H19F2N3O2/c1-10(14(22)19-7-5-15(16,17)6-8-19)20-13(21)9-11-3-2-4-12(11)18-20/h9-10H,2-8H2,1H3
InChIKeyWBMASUOOUMVZST-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.55
Rot. Bonds2

About 2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 122280219) has the molecular formula C15H19F2N3O2 and a molecular weight of 311.33 g/mol. Its IUPAC name is 2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID122280219
Molecular FormulaC15H19F2N3O2
Molecular Weight311.33 g/mol
Exact Mass311.14
IUPAC Name2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESCC(C(=O)N1CCC(F)(F)CC1)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C15H19F2N3O2/c1-10(14(22)19-7-5-15(16,17)6-8-19)20-13(21)9-11-3-2-4-12(11)18-20/h9-10H,2-8H2,1H3
InChIKeyWBMASUOOUMVZST-UHFFFAOYSA-N
XLogP1.55
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 122280219) is 2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is CC(C(=O)N1CCC(F)(F)CC1)n1nc2c(cc1=O)CCC2.
What is the InChIKey of 2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is WBMASUOOUMVZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O2/c1-10(14(22)19-7-5-15(16,17)6-8-19)20-13(21)9-11-3-2-4-12(11)18-20/h9-10H,2-8H2,1H3.
What are the key properties of 2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 311.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,4-difluoropiperidin-1-yl)-1-oxopropan-2-yl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 122280219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).