2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one

C19H32N4O2 — CID 128971692

IUPAC2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one
SMILESCC(C)(C)CN1CCCC(n2ncc(N3CCC(O)CC3)cc2=O)C1
InChIInChI=1S/C19H32N4O2/c1-19(2,3)14-21-8-4-5-15(13-21)23-18(25)11-16(12-20-23)22-9-6-17(24)7-10-22/h11-12,15,17,24H,4-10,13-14H2,1-3H3
InChIKeyXQKJHPRKRUEDRM-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.89
Rot. Bonds3

About 2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one

2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one (PubChem CID 128971692) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one
PubChem CID128971692
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one
SMILESCC(C)(C)CN1CCCC(n2ncc(N3CCC(O)CC3)cc2=O)C1
InChIInChI=1S/C19H32N4O2/c1-19(2,3)14-21-8-4-5-15(13-21)23-18(25)11-16(12-20-23)22-9-6-17(24)7-10-22/h11-12,15,17,24H,4-10,13-14H2,1-3H3
InChIKeyXQKJHPRKRUEDRM-UHFFFAOYSA-N
XLogP1.89
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one (CID 128971692) is 2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one is CC(C)(C)CN1CCCC(n2ncc(N3CCC(O)CC3)cc2=O)C1.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one?
The InChIKey is XQKJHPRKRUEDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-19(2,3)14-21-8-4-5-15(13-21)23-18(25)11-16(12-20-23)22-9-6-17(24)7-10-22/h11-12,15,17,24H,4-10,13-14H2,1-3H3.
What are the key properties of 2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one?
2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one has a molecular weight of 348.49 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)piperidin-3-yl]-5-(4-hydroxypiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 128971692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).