2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride

C15H23ClN4O3 — CID 154890830

IUPAC2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride
SMILESCl.O=C(Cn1[nH]c(=O)ccc1=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H22N4O3.ClH/c20-12-1-2-13(21)19(17-12)11-14(22)18-9-5-15(6-10-18)3-7-16-8-4-15;/h1-2,16H,3-11H2,(H,17,20);1H
InChIKeyGZLFHTVBWYDIHF-UHFFFAOYSA-N
MW342.83 g/mol
LogP-0.05
Rot. Bonds2

About 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride

2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride (PubChem CID 154890830) has the molecular formula C15H23ClN4O3 and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride.

Molecular Properties

Compound Name2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride
PubChem CID154890830
Molecular FormulaC15H23ClN4O3
Molecular Weight342.83 g/mol
Exact Mass342.15
IUPAC Name2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride
SMILESCl.O=C(Cn1[nH]c(=O)ccc1=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H22N4O3.ClH/c20-12-1-2-13(21)19(17-12)11-14(22)18-9-5-15(6-10-18)3-7-16-8-4-15;/h1-2,16H,3-11H2,(H,17,20);1H
InChIKeyGZLFHTVBWYDIHF-UHFFFAOYSA-N
XLogP-0.05
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride with MolForge

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Related Compounds

2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]acetamide
CID 56702846
N-[[1-[2-(3,6-dioxo-1H-pyridazin-2-yl)acetyl]piperidin-4-yl]methyl]acetamide
CID 53500255
2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 56720919
1-[2-(3,9-Diazaspiro[5.5]undec-3-yl)-2-oxoethyl]-1,2-dihydro-3,6-pyridazinedione hydrochloride
CID 56876225
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]acetamide
CID 95191727
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]acetamide
CID 95191728

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride?
The IUPAC name of 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride (CID 154890830) is 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride.
What is the SMILES notation for 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride?
The canonical SMILES for 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride is Cl.O=C(Cn1[nH]c(=O)ccc1=O)N1CCC2(CCNCC2)CC1.
What is the InChIKey of 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride?
The InChIKey is GZLFHTVBWYDIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3.ClH/c20-12-1-2-13(21)19(17-12)11-14(22)18-9-5-15(6-10-18)3-7-16-8-4-15;/h1-2,16H,3-11H2,(H,17,20);1H.
What are the key properties of 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride?
2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride is sourced from PubChem (CID 154890830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).