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

C18H33N3 — CID 166934323

IUPAC2-(1-methylazetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane
SMILESCC1CCN(C2CCC3(CC2)CN(C2CN(C)C2)C3)CC1
InChIInChI=1S/C18H33N3/c1-15-5-9-20(10-6-15)16-3-7-18(8-4-16)13-21(14-18)17-11-19(2)12-17/h15-17H,3-14H2,1-2H3
InChIKeyGACYVFBFMPZPJM-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.28
Rot. Bonds2

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

2-(1-methylazetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane (PubChem CID 166934323) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 2-(1-methylazetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-(1-methylazetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane
PubChem CID166934323
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name2-(1-methylazetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane
SMILESCC1CCN(C2CCC3(CC2)CN(C2CN(C)C2)C3)CC1
InChIInChI=1S/C18H33N3/c1-15-5-9-20(10-6-15)16-3-7-18(8-4-16)13-21(14-18)17-11-19(2)12-17/h15-17H,3-14H2,1-2H3
InChIKeyGACYVFBFMPZPJM-UHFFFAOYSA-N
XLogP2.28
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylazetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane?
The IUPAC name of 2-(1-methylazetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane (CID 166934323) is 2-(1-methylazetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane.
What is the SMILES notation for 2-(1-methylazetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane?
The canonical SMILES for 2-(1-methylazetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane is CC1CCN(C2CCC3(CC2)CN(C2CN(C)C2)C3)CC1.
What is the InChIKey of 2-(1-methylazetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane?
The InChIKey is GACYVFBFMPZPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-15-5-9-20(10-6-15)16-3-7-18(8-4-16)13-21(14-18)17-11-19(2)12-17/h15-17H,3-14H2,1-2H3.
What are the key properties of 2-(1-methylazetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane?
2-(1-methylazetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane has a molecular weight of 291.48 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylazetidin-3-yl)-7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonane is sourced from PubChem (CID 166934323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).