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

C18H33N3 — CID 166934306

IUPAC7-(3-methylazetidin-1-yl)-2-(1-methylpiperidin-4-yl)-2-azaspiro[3.5]nonane
SMILESCC1CN(C2CCC3(CC2)CN(C2CCN(C)CC2)C3)C1
InChIInChI=1S/C18H33N3/c1-15-11-20(12-15)16-3-7-18(8-4-16)13-21(14-18)17-5-9-19(2)10-6-17/h15-17H,3-14H2,1-2H3
InChIKeyJFWCFHXZAVYXOW-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.28
Rot. Bonds2

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

7-(3-methylazetidin-1-yl)-2-(1-methylpiperidin-4-yl)-2-azaspiro[3.5]nonane (PubChem CID 166934306) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 7-(3-methylazetidin-1-yl)-2-(1-methylpiperidin-4-yl)-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-(3-methylazetidin-1-yl)-2-(1-methylpiperidin-4-yl)-2-azaspiro[3.5]nonane
PubChem CID166934306
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name7-(3-methylazetidin-1-yl)-2-(1-methylpiperidin-4-yl)-2-azaspiro[3.5]nonane
SMILESCC1CN(C2CCC3(CC2)CN(C2CCN(C)CC2)C3)C1
InChIInChI=1S/C18H33N3/c1-15-11-20(12-15)16-3-7-18(8-4-16)13-21(14-18)17-5-9-19(2)10-6-17/h15-17H,3-14H2,1-2H3
InChIKeyJFWCFHXZAVYXOW-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 7-(3-methylazetidin-1-yl)-2-(1-methylpiperidin-4-yl)-2-azaspiro[3.5]nonane?
The IUPAC name of 7-(3-methylazetidin-1-yl)-2-(1-methylpiperidin-4-yl)-2-azaspiro[3.5]nonane (CID 166934306) is 7-(3-methylazetidin-1-yl)-2-(1-methylpiperidin-4-yl)-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-(3-methylazetidin-1-yl)-2-(1-methylpiperidin-4-yl)-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-(3-methylazetidin-1-yl)-2-(1-methylpiperidin-4-yl)-2-azaspiro[3.5]nonane is CC1CN(C2CCC3(CC2)CN(C2CCN(C)CC2)C3)C1.
What is the InChIKey of 7-(3-methylazetidin-1-yl)-2-(1-methylpiperidin-4-yl)-2-azaspiro[3.5]nonane?
The InChIKey is JFWCFHXZAVYXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-15-11-20(12-15)16-3-7-18(8-4-16)13-21(14-18)17-5-9-19(2)10-6-17/h15-17H,3-14H2,1-2H3.
What are the key properties of 7-(3-methylazetidin-1-yl)-2-(1-methylpiperidin-4-yl)-2-azaspiro[3.5]nonane?
7-(3-methylazetidin-1-yl)-2-(1-methylpiperidin-4-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 7-(3-methylazetidin-1-yl)-2-(1-methylpiperidin-4-yl)-2-azaspiro[3.5]nonane is sourced from PubChem (CID 166934306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).