2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one

C15H23N3O3 — CID 102735292

IUPAC2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn([C@H]3CCC[C@@H]3O)c(=O)c2)CC1
InChIInChI=1S/C15H23N3O3/c1-21-12-5-7-17(8-6-12)11-9-15(20)18(16-10-11)13-3-2-4-14(13)19/h9-10,12-14,19H,2-8H2,1H3/t13-,14-/m0/s1
InChIKeyIAFQQFGCQYXAIN-KBPBESRZSA-N
MW293.37 g/mol
LogP0.94
Rot. Bonds3

About 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one

2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one (PubChem CID 102735292) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
PubChem CID102735292
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one
SMILESCOC1CCN(c2cnn([C@H]3CCC[C@@H]3O)c(=O)c2)CC1
InChIInChI=1S/C15H23N3O3/c1-21-12-5-7-17(8-6-12)11-9-15(20)18(16-10-11)13-3-2-4-14(13)19/h9-10,12-14,19H,2-8H2,1H3/t13-,14-/m0/s1
InChIKeyIAFQQFGCQYXAIN-KBPBESRZSA-N
XLogP0.94
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one (CID 102735292) is 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The canonical SMILES for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one is COC1CCN(c2cnn([C@H]3CCC[C@@H]3O)c(=O)c2)CC1.
What is the InChIKey of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
The InChIKey is IAFQQFGCQYXAIN-KBPBESRZSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-21-12-5-7-17(8-6-12)11-9-15(20)18(16-10-11)13-3-2-4-14(13)19/h9-10,12-14,19H,2-8H2,1H3/t13-,14-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one?
2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one has a molecular weight of 293.37 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-hydroxycyclopentyl]-5-(4-methoxypiperidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 102735292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).