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

C15H22N4O3 — CID 56876225

IUPAC2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H22N4O3/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)
InChIKeyXEHQFYCRQBIREJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP-0.47
Rot. Bonds2

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

2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (PubChem CID 56876225) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
PubChem CID56876225
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C15H22N4O3/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)
InChIKeyXEHQFYCRQBIREJ-UHFFFAOYSA-N
XLogP-0.47
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 45827427
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
N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 94028833
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 94028834
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 94028835
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
2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione;hydrochloride
CID 154890830

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?
The IUPAC name of 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione (CID 56876225) is 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione is 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?
The InChIKey is XEHQFYCRQBIREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/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).
What are the key properties of 2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione?
2-[2-(3,9-diazaspiro[5.5]undecan-3-yl)-2-oxoethyl]-1H-pyridazine-3,6-dione has a molecular weight of 306.37 g/mol, XLogP of -0.47, 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 is sourced from PubChem (CID 56876225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).