[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone

C15H23N3O3 — CID 91915832

IUPAC[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOCC1CN(C(=O)c2ccnn2C)CC12CCOCC2
InChIInChI=1S/C15H23N3O3/c1-17-13(3-6-16-17)14(19)18-9-12(10-20-2)15(11-18)4-7-21-8-5-15/h3,6,12H,4-5,7-11H2,1-2H3
InChIKeyGIFNXKJAHUEGHZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.94
Rot. Bonds3

About [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone

[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 91915832) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID91915832
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOCC1CN(C(=O)c2ccnn2C)CC12CCOCC2
InChIInChI=1S/C15H23N3O3/c1-17-13(3-6-16-17)14(19)18-9-12(10-20-2)15(11-18)4-7-21-8-5-15/h3,6,12H,4-5,7-11H2,1-2H3
InChIKeyGIFNXKJAHUEGHZ-UHFFFAOYSA-N
XLogP0.94
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone (CID 91915832) is [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone is COCC1CN(C(=O)c2ccnn2C)CC12CCOCC2.
What is the InChIKey of [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is GIFNXKJAHUEGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-17-13(3-6-16-17)14(19)18-9-12(10-20-2)15(11-18)4-7-21-8-5-15/h3,6,12H,4-5,7-11H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 91915832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).