5-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one

C18H28N4O3 — CID 70758803

IUPAC5-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(C3CCOC4(CCOCC4)C3)CC2)cc1=O
InChIInChI=1S/C18H28N4O3/c1-20-17(23)12-16(14-19-20)22-7-5-21(6-8-22)15-2-9-25-18(13-15)3-10-24-11-4-18/h12,14-15H,2-11,13H2,1H3
InChIKeyMZACNHUKSBUULC-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.63
Rot. Bonds2

About 5-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 70758803) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID70758803
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name5-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCN(C3CCOC4(CCOCC4)C3)CC2)cc1=O
InChIInChI=1S/C18H28N4O3/c1-20-17(23)12-16(14-19-20)22-7-5-21(6-8-22)15-2-9-25-18(13-15)3-10-24-11-4-18/h12,14-15H,2-11,13H2,1H3
InChIKeyMZACNHUKSBUULC-UHFFFAOYSA-N
XLogP0.63
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462293
cyclopropyl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462234
1-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]ethanone
CID 79905880
6-chloro-3-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
CID 114582130
(6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 164640193
N-tert-butyl-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91924297
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazole-4-carboxylic acid
CID 79893701
(3-methylphenyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462402
2-phenyl-1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462353
2-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]propanenitrile
CID 79900815
1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone
CID 125462418
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine
CID 79910833

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one (CID 70758803) is 5-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCN(C3CCOC4(CCOCC4)C3)CC2)cc1=O.
What is the InChIKey of 5-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is MZACNHUKSBUULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-20-17(23)12-16(14-19-20)22-7-5-21(6-8-22)15-2-9-25-18(13-15)3-10-24-11-4-18/h12,14-15H,2-11,13H2,1H3.
What are the key properties of 5-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 348.45 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,9-dioxaspiro[5.5]undecan-4-yl)piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 70758803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).