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

C17H31N3 — CID 166934345

IUPAC7-[4-(3-methylazetidin-1-yl)piperidin-1-yl]-2-azaspiro[3.5]nonane
SMILESCC1CN(C2CCN(C3CCC4(CC3)CNC4)CC2)C1
InChIInChI=1S/C17H31N3/c1-14-10-20(11-14)16-4-8-19(9-5-16)15-2-6-17(7-3-15)12-18-13-17/h14-16,18H,2-13H2,1H3
InChIKeyJRMIPILEGIXKDB-UHFFFAOYSA-N
MW277.46 g/mol
LogP1.93
Rot. Bonds2

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

7-[4-(3-methylazetidin-1-yl)piperidin-1-yl]-2-azaspiro[3.5]nonane (PubChem CID 166934345) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 7-[4-(3-methylazetidin-1-yl)piperidin-1-yl]-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[4-(3-methylazetidin-1-yl)piperidin-1-yl]-2-azaspiro[3.5]nonane
PubChem CID166934345
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name7-[4-(3-methylazetidin-1-yl)piperidin-1-yl]-2-azaspiro[3.5]nonane
SMILESCC1CN(C2CCN(C3CCC4(CC3)CNC4)CC2)C1
InChIInChI=1S/C17H31N3/c1-14-10-20(11-14)16-4-8-19(9-5-16)15-2-6-17(7-3-15)12-18-13-17/h14-16,18H,2-13H2,1H3
InChIKeyJRMIPILEGIXKDB-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

Analyze 7-[4-(3-methylazetidin-1-yl)piperidin-1-yl]-2-azaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-methylazetidin-1-yl)piperidin-1-yl]-2-azaspiro[3.5]nonane?
The IUPAC name of 7-[4-(3-methylazetidin-1-yl)piperidin-1-yl]-2-azaspiro[3.5]nonane (CID 166934345) is 7-[4-(3-methylazetidin-1-yl)piperidin-1-yl]-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[4-(3-methylazetidin-1-yl)piperidin-1-yl]-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-[4-(3-methylazetidin-1-yl)piperidin-1-yl]-2-azaspiro[3.5]nonane is CC1CN(C2CCN(C3CCC4(CC3)CNC4)CC2)C1.
What is the InChIKey of 7-[4-(3-methylazetidin-1-yl)piperidin-1-yl]-2-azaspiro[3.5]nonane?
The InChIKey is JRMIPILEGIXKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-14-10-20(11-14)16-4-8-19(9-5-16)15-2-6-17(7-3-15)12-18-13-17/h14-16,18H,2-13H2,1H3.
What are the key properties of 7-[4-(3-methylazetidin-1-yl)piperidin-1-yl]-2-azaspiro[3.5]nonane?
7-[4-(3-methylazetidin-1-yl)piperidin-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 7-[4-(3-methylazetidin-1-yl)piperidin-1-yl]-2-azaspiro[3.5]nonane is sourced from PubChem (CID 166934345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).