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

C15H25N3O2 — CID 131648853

IUPAC3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
SMILESCOCC1CC2(CCN(Cc3cnn(C)c3)CC2)CO1
InChIInChI=1S/C15H25N3O2/c1-17-9-13(8-16-17)10-18-5-3-15(4-6-18)7-14(11-19-2)20-12-15/h8-9,14H,3-7,10-12H2,1-2H3
InChIKeyDNJPWPLGXJLKDM-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.44
Rot. Bonds4

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

3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane (PubChem CID 131648853) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
PubChem CID131648853
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
SMILESCOCC1CC2(CCN(Cc3cnn(C)c3)CC2)CO1
InChIInChI=1S/C15H25N3O2/c1-17-9-13(8-16-17)10-18-5-3-15(4-6-18)7-14(11-19-2)20-12-15/h8-9,14H,3-7,10-12H2,1-2H3
InChIKeyDNJPWPLGXJLKDM-UHFFFAOYSA-N
XLogP1.44
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane (CID 131648853) is 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane is COCC1CC2(CCN(Cc3cnn(C)c3)CC2)CO1.
What is the InChIKey of 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is DNJPWPLGXJLKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-17-9-13(8-16-17)10-18-5-3-15(4-6-18)7-14(11-19-2)20-12-15/h8-9,14H,3-7,10-12H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane?
3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 279.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131648853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).