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

C17H25N3O2 — CID 95798116

IUPAC6-cyclopropyl-2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyridazin-3-one
SMILESCC(C)(C)C(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C17H25N3O2/c1-17(2,3)16(22)19-10-8-13(9-11-19)20-15(21)7-6-14(18-20)12-4-5-12/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyAPZBMDJOKMGNQM-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.33
Rot. Bonds2

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

6-cyclopropyl-2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyridazin-3-one (PubChem CID 95798116) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-cyclopropyl-2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyridazin-3-one
PubChem CID95798116
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name6-cyclopropyl-2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyridazin-3-one
SMILESCC(C)(C)C(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1
InChIInChI=1S/C17H25N3O2/c1-17(2,3)16(22)19-10-8-13(9-11-19)20-15(21)7-6-14(18-20)12-4-5-12/h6-7,12-13H,4-5,8-11H2,1-3H3
InChIKeyAPZBMDJOKMGNQM-UHFFFAOYSA-N
XLogP2.33
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.33
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-(2,2-dimethylpropanoyl)piperidin-4-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyridazin-3-one (CID 95798116) is 6-cyclopropyl-2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyridazin-3-one is CC(C)(C)C(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1.
What is the InChIKey of 6-cyclopropyl-2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyridazin-3-one?
The InChIKey is APZBMDJOKMGNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-17(2,3)16(22)19-10-8-13(9-11-19)20-15(21)7-6-14(18-20)12-4-5-12/h6-7,12-13H,4-5,8-11H2,1-3H3.
What are the key properties of 6-cyclopropyl-2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyridazin-3-one?
6-cyclopropyl-2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyridazin-3-one has a molecular weight of 303.41 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyridazin-3-one is sourced from PubChem (CID 95798116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).