2-(azetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane

C17H31N3 — CID 166934587

IUPAC2-(azetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane
SMILESCC1CCN(C2CCC3(CC2)CN(C2CNC2)C3)CC1
InChIInChI=1S/C17H31N3/c1-14-4-8-19(9-5-14)15-2-6-17(7-3-15)12-20(13-17)16-10-18-11-16/h14-16,18H,2-13H2,1H3
InChIKeyLVIUGYUMYMUCSL-UHFFFAOYSA-N
MW277.46 g/mol
LogP1.93
Rot. Bonds2

About 2-(azetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane

2-(azetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane (PubChem CID 166934587) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(azetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane
PubChem CID166934587
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-(azetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane
SMILESCC1CCN(C2CCC3(CC2)CN(C2CNC2)C3)CC1
InChIInChI=1S/C17H31N3/c1-14-4-8-19(9-5-14)15-2-6-17(7-3-15)12-20(13-17)16-10-18-11-16/h14-16,18H,2-13H2,1H3
InChIKeyLVIUGYUMYMUCSL-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(azetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane (CID 166934587) is 2-(azetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(azetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(azetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane is CC1CCN(C2CCC3(CC2)CN(C2CNC2)C3)CC1.
What is the InChIKey of 2-(azetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane?
The InChIKey is LVIUGYUMYMUCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-14-4-8-19(9-5-14)15-2-6-17(7-3-15)12-20(13-17)16-10-18-11-16/h14-16,18H,2-13H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane?
2-(azetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane has a molecular weight of 277.46 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane is sourced from PubChem (CID 166934587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).