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

C18H33N3 — CID 170371772

IUPAC7-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane
SMILESCC1CCC2(CC1)CN(C1CCN(C3CN(C)C3)CC1)C2
InChIInChI=1S/C18H33N3/c1-15-3-7-18(8-4-15)13-21(14-18)16-5-9-20(10-6-16)17-11-19(2)12-17/h15-17H,3-14H2,1-2H3
InChIKeyVBNBHWWMEDHVBO-UHFFFAOYSA-N
MW291.48 g/mol
LogP2.28
Rot. Bonds2

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

7-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane (PubChem CID 170371772) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 7-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane
PubChem CID170371772
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name7-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane
SMILESCC1CCC2(CC1)CN(C1CCN(C3CN(C)C3)CC1)C2
InChIInChI=1S/C18H33N3/c1-15-3-7-18(8-4-15)13-21(14-18)16-5-9-20(10-6-16)17-11-19(2)12-17/h15-17H,3-14H2,1-2H3
InChIKeyVBNBHWWMEDHVBO-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-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane?
The IUPAC name of 7-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane (CID 170371772) is 7-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane.
What is the SMILES notation for 7-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane?
The canonical SMILES for 7-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane is CC1CCC2(CC1)CN(C1CCN(C3CN(C)C3)CC1)C2.
What is the InChIKey of 7-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane?
The InChIKey is VBNBHWWMEDHVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-15-3-7-18(8-4-15)13-21(14-18)16-5-9-20(10-6-16)17-11-19(2)12-17/h15-17H,3-14H2,1-2H3.
What are the key properties of 7-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane?
7-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-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-methyl-2-[1-(1-methylazetidin-3-yl)piperidin-4-yl]-2-azaspiro[3.5]nonane is sourced from PubChem (CID 170371772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).