2-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

C13H19N3O5 — CID 82015961

IUPAC2-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCC(OCCO)CC1
InChIInChI=1S/C13H19N3O5/c17-7-8-21-10-3-5-15(6-4-10)13(20)9-16-12(19)2-1-11(18)14-16/h1-2,10,17H,3-9H2,(H,14,18)
InChIKeySKDUBRJNFPEWOB-UHFFFAOYSA-N
MW297.31 g/mol
LogP-1.46
Rot. Bonds5

About 2-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione

2-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 82015961) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID82015961
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCC(OCCO)CC1
InChIInChI=1S/C13H19N3O5/c17-7-8-21-10-3-5-15(6-4-10)13(20)9-16-12(19)2-1-11(18)14-16/h1-2,10,17H,3-9H2,(H,14,18)
InChIKeySKDUBRJNFPEWOB-UHFFFAOYSA-N
XLogP-1.46
TPSA104.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 82015961) is 2-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is O=C(Cn1[nH]c(=O)ccc1=O)N1CCC(OCCO)CC1.
What is the InChIKey of 2-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
The InChIKey is SKDUBRJNFPEWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c17-7-8-21-10-3-5-15(6-4-10)13(20)9-16-12(19)2-1-11(18)14-16/h1-2,10,17H,3-9H2,(H,14,18).
What are the key properties of 2-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 297.31 g/mol, XLogP of -1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoethyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 82015961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).