3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane

C16H19N3O2 — CID 102930556

IUPAC3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc2c(OC3COC4(CCNCC4)C3)nncc2c1
InChIInChI=1S/C16H19N3O2/c1-2-4-14-12(3-1)10-18-19-15(14)21-13-9-16(20-11-13)5-7-17-8-6-16/h1-4,10,13,17H,5-9,11H2
InChIKeyNZVFAARJYLLAJQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.92
Rot. Bonds2

About 3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane

3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane (PubChem CID 102930556) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane
PubChem CID102930556
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane
SMILESc1ccc2c(OC3COC4(CCNCC4)C3)nncc2c1
InChIInChI=1S/C16H19N3O2/c1-2-4-14-12(3-1)10-18-19-15(14)21-13-9-16(20-11-13)5-7-17-8-6-16/h1-4,10,13,17H,5-9,11H2
InChIKeyNZVFAARJYLLAJQ-UHFFFAOYSA-N
XLogP1.92
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-3-carboxamide
CID 102930554
6-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-2-carboxamide
CID 102930635
3-[(6-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930458
(3S)-3-(4-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decane
CID 124938709
3-[(5-bromo-3-methyl-2-pyridinyl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930435
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930602
(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97486909
6-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridine-3-carbonitrile
CID 102930474
(3R,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonane
CID 97420064
3-(6-ethoxy-5-methylpyrimidin-4-yl)oxy-1-oxa-8-azaspiro[4.5]decane
CID 102930455
3-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]-1-oxa-8-azaspiro[4.5]decane
CID 102930543
5,6-dimethyl-3-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)pyridazine-4-carbonitrile
CID 102930669

Frequently Asked Questions

What is the IUPAC name of 3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane (CID 102930556) is 3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane is c1ccc2c(OC3COC4(CCNCC4)C3)nncc2c1.
What is the InChIKey of 3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is NZVFAARJYLLAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-4-14-12(3-1)10-18-19-15(14)21-13-9-16(20-11-13)5-7-17-8-6-16/h1-4,10,13,17H,5-9,11H2.
What are the key properties of 3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane?
3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 285.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phthalazin-1-yloxy-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 102930556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).