2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one

C14H21N3O2 — CID 102735284

IUPAC2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C14H21N3O2/c18-13-6-4-5-12(13)17-14(19)9-11(10-15-17)16-7-2-1-3-8-16/h9-10,12-13,18H,1-8H2/t12-,13-/m0/s1
InChIKeyLTBLLKZQXLEKLE-STQMWFEESA-N
MW263.34 g/mol
LogP1.32
Rot. Bonds2

About 2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one

2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 102735284) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID102735284
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)cnn1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C14H21N3O2/c18-13-6-4-5-12(13)17-14(19)9-11(10-15-17)16-7-2-1-3-8-16/h9-10,12-13,18H,1-8H2/t12-,13-/m0/s1
InChIKeyLTBLLKZQXLEKLE-STQMWFEESA-N
XLogP1.32
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one (CID 102735284) is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one is O=c1cc(N2CCCCC2)cnn1[C@H]1CCC[C@@H]1O.
What is the InChIKey of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is LTBLLKZQXLEKLE-STQMWFEESA-N. The full InChI is InChI=1S/C14H21N3O2/c18-13-6-4-5-12(13)17-14(19)9-11(10-15-17)16-7-2-1-3-8-16/h9-10,12-13,18H,1-8H2/t12-,13-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one?
2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 263.34 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 102735284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).