6-cyclopropyl-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one

C16H23N3O2 — CID 46959209

IUPAC6-cyclopropyl-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one
SMILESCC(C)C(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C16H23N3O2/c1-11(2)16(21)18-9-7-13(8-10-18)19-15(20)6-5-14(17-19)12-3-4-12/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyDFJQXXYBMIHMPC-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.94
Rot. Bonds3

About 6-cyclopropyl-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one

6-cyclopropyl-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one (PubChem CID 46959209) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-cyclopropyl-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one
PubChem CID46959209
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-cyclopropyl-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one
SMILESCC(C)C(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C16H23N3O2/c1-11(2)16(21)18-9-7-13(8-10-18)19-15(20)6-5-14(17-19)12-3-4-12/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyDFJQXXYBMIHMPC-UHFFFAOYSA-N
XLogP1.94
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
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-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one (CID 46959209) is 6-cyclopropyl-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one is CC(C)C(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1.
What is the InChIKey of 6-cyclopropyl-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one?
The InChIKey is DFJQXXYBMIHMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)16(21)18-9-7-13(8-10-18)19-15(20)6-5-14(17-19)12-3-4-12/h5-6,11-13H,3-4,7-10H2,1-2H3.
What are the key properties of 6-cyclopropyl-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one?
6-cyclopropyl-2-[1-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one has a molecular weight of 289.38 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-(2-methylpropanoyl)piperidin-4-yl]pyridazin-3-one is sourced from PubChem (CID 46959209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).