3-(ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane

C16H27N3O2 — CID 131657659

IUPAC3-(ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
SMILESCCOCC1CC2(CCN(Cc3cnn(C)c3)CC2)CO1
InChIInChI=1S/C16H27N3O2/c1-3-20-12-15-8-16(13-21-15)4-6-19(7-5-16)11-14-9-17-18(2)10-14/h9-10,15H,3-8,11-13H2,1-2H3
InChIKeyGIMNHZGXXYLBSG-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.83
Rot. Bonds5

About 3-(ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane

3-(ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane (PubChem CID 131657659) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
PubChem CID131657659
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-(ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
SMILESCCOCC1CC2(CCN(Cc3cnn(C)c3)CC2)CO1
InChIInChI=1S/C16H27N3O2/c1-3-20-12-15-8-16(13-21-15)4-6-19(7-5-16)11-14-9-17-18(2)10-14/h9-10,15H,3-8,11-13H2,1-2H3
InChIKeyGIMNHZGXXYLBSG-UHFFFAOYSA-N
XLogP1.83
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane (CID 131657659) is 3-(ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane is CCOCC1CC2(CCN(Cc3cnn(C)c3)CC2)CO1.
What is the InChIKey of 3-(ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is GIMNHZGXXYLBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-20-12-15-8-16(13-21-15)4-6-19(7-5-16)11-14-9-17-18(2)10-14/h9-10,15H,3-8,11-13H2,1-2H3.
What are the key properties of 3-(ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
3-(ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 293.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131657659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).