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

C14H22N4O2 — CID 100613251

IUPAC5-(4-hydroxypiperidin-1-yl)-2-[(3R)-piperidin-3-yl]pyridazin-3-one
SMILESO=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCCNC1
InChIInChI=1S/C14H22N4O2/c19-13-3-6-17(7-4-13)12-8-14(20)18(16-10-12)11-2-1-5-15-9-11/h8,10-11,13,15,19H,1-7,9H2/t11-/m1/s1
InChIKeyGCWRNFLXHUWVJI-LLVKDONJSA-N
MW278.36 g/mol
LogP0.13
Rot. Bonds2

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

5-(4-hydroxypiperidin-1-yl)-2-[(3R)-piperidin-3-yl]pyridazin-3-one (PubChem CID 100613251) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-(4-hydroxypiperidin-1-yl)-2-[(3R)-piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-(4-hydroxypiperidin-1-yl)-2-[(3R)-piperidin-3-yl]pyridazin-3-one
PubChem CID100613251
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-(4-hydroxypiperidin-1-yl)-2-[(3R)-piperidin-3-yl]pyridazin-3-one
SMILESO=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCCNC1
InChIInChI=1S/C14H22N4O2/c19-13-3-6-17(7-4-13)12-8-14(20)18(16-10-12)11-2-1-5-15-9-11/h8,10-11,13,15,19H,1-7,9H2/t11-/m1/s1
InChIKeyGCWRNFLXHUWVJI-LLVKDONJSA-N
XLogP0.13
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxypiperidin-1-yl)-2-[(3R)-piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 5-(4-hydroxypiperidin-1-yl)-2-[(3R)-piperidin-3-yl]pyridazin-3-one (CID 100613251) is 5-(4-hydroxypiperidin-1-yl)-2-[(3R)-piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 5-(4-hydroxypiperidin-1-yl)-2-[(3R)-piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 5-(4-hydroxypiperidin-1-yl)-2-[(3R)-piperidin-3-yl]pyridazin-3-one is O=c1cc(N2CCC(O)CC2)cnn1[C@@H]1CCCNC1.
What is the InChIKey of 5-(4-hydroxypiperidin-1-yl)-2-[(3R)-piperidin-3-yl]pyridazin-3-one?
The InChIKey is GCWRNFLXHUWVJI-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N4O2/c19-13-3-6-17(7-4-13)12-8-14(20)18(16-10-12)11-2-1-5-15-9-11/h8,10-11,13,15,19H,1-7,9H2/t11-/m1/s1.
What are the key properties of 5-(4-hydroxypiperidin-1-yl)-2-[(3R)-piperidin-3-yl]pyridazin-3-one?
5-(4-hydroxypiperidin-1-yl)-2-[(3R)-piperidin-3-yl]pyridazin-3-one has a molecular weight of 278.36 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxypiperidin-1-yl)-2-[(3R)-piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 100613251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).