4-[1-(1-hydroxyethyl)piperidin-4-yl]-1,2-dihydropyridazine-3,6-dione

C11H17N3O3 — CID 166847865

IUPAC4-[1-(1-hydroxyethyl)piperidin-4-yl]-1,2-dihydropyridazine-3,6-dione
SMILESCC(O)N1CCC(c2cc(=O)[nH][nH]c2=O)CC1
InChIInChI=1S/C11H17N3O3/c1-7(15)14-4-2-8(3-5-14)9-6-10(16)12-13-11(9)17/h6-8,15H,2-5H2,1H3,(H,12,16)(H,13,17)
InChIKeyHUJIYOOYAFBWBD-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.42
Rot. Bonds2

About 4-[1-(1-hydroxyethyl)piperidin-4-yl]-1,2-dihydropyridazine-3,6-dione

4-[1-(1-hydroxyethyl)piperidin-4-yl]-1,2-dihydropyridazine-3,6-dione (PubChem CID 166847865) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-[1-(1-hydroxyethyl)piperidin-4-yl]-1,2-dihydropyridazine-3,6-dione.

Molecular Properties

Compound Name4-[1-(1-hydroxyethyl)piperidin-4-yl]-1,2-dihydropyridazine-3,6-dione
PubChem CID166847865
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-[1-(1-hydroxyethyl)piperidin-4-yl]-1,2-dihydropyridazine-3,6-dione
SMILESCC(O)N1CCC(c2cc(=O)[nH][nH]c2=O)CC1
InChIInChI=1S/C11H17N3O3/c1-7(15)14-4-2-8(3-5-14)9-6-10(16)12-13-11(9)17/h6-8,15H,2-5H2,1H3,(H,12,16)(H,13,17)
InChIKeyHUJIYOOYAFBWBD-UHFFFAOYSA-N
XLogP-0.42
TPSA89.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-hydroxyethyl)piperidin-4-yl]-1,2-dihydropyridazine-3,6-dione?
The IUPAC name of 4-[1-(1-hydroxyethyl)piperidin-4-yl]-1,2-dihydropyridazine-3,6-dione (CID 166847865) is 4-[1-(1-hydroxyethyl)piperidin-4-yl]-1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for 4-[1-(1-hydroxyethyl)piperidin-4-yl]-1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for 4-[1-(1-hydroxyethyl)piperidin-4-yl]-1,2-dihydropyridazine-3,6-dione is CC(O)N1CCC(c2cc(=O)[nH][nH]c2=O)CC1.
What is the InChIKey of 4-[1-(1-hydroxyethyl)piperidin-4-yl]-1,2-dihydropyridazine-3,6-dione?
The InChIKey is HUJIYOOYAFBWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(15)14-4-2-8(3-5-14)9-6-10(16)12-13-11(9)17/h6-8,15H,2-5H2,1H3,(H,12,16)(H,13,17).
What are the key properties of 4-[1-(1-hydroxyethyl)piperidin-4-yl]-1,2-dihydropyridazine-3,6-dione?
4-[1-(1-hydroxyethyl)piperidin-4-yl]-1,2-dihydropyridazine-3,6-dione has a molecular weight of 239.27 g/mol, XLogP of -0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-hydroxyethyl)piperidin-4-yl]-1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 166847865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).