2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

C11H15N3O4 — CID 107224612

IUPAC2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H15N3O4/c15-8-2-1-5-13(6-8)11(18)7-14-10(17)4-3-9(16)12-14/h3-4,8,15H,1-2,5-7H2,(H,12,16)/t8-/m0/s1
InChIKeyPGEUXKJYQHTGBT-QMMMGPOBSA-N
MW253.26 g/mol
LogP-1.48
Rot. Bonds2

About 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 107224612) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID107224612
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCC[C@H](O)C1
InChIInChI=1S/C11H15N3O4/c15-8-2-1-5-13(6-8)11(18)7-14-10(17)4-3-9(16)12-14/h3-4,8,15H,1-2,5-7H2,(H,12,16)/t8-/m0/s1
InChIKeyPGEUXKJYQHTGBT-QMMMGPOBSA-N
XLogP-1.48
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43415770
2-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43415993
2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43416271
2-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 43572846
2-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 54878794
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62333664
2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 62917770
N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 63295368
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylacetamide
CID 65982976
2-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 66052369
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 66262147
2-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
CID 79029989

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 107224612) is 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1CCC[C@H](O)C1.
What is the InChIKey of 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is PGEUXKJYQHTGBT-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O4/c15-8-2-1-5-13(6-8)11(18)7-14-10(17)4-3-9(16)12-14/h3-4,8,15H,1-2,5-7H2,(H,12,16)/t8-/m0/s1.
What are the key properties of 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 253.26 g/mol, XLogP of -1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 107224612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).