7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane

C13H19N3O — CID 11601092

IUPAC7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane
SMILESCOc1cncc(N2CCC3(CCCN3)C2)c1
InChIInChI=1S/C13H19N3O/c1-17-12-7-11(8-14-9-12)16-6-4-13(10-16)3-2-5-15-13/h7-9,15H,2-6,10H2,1H3
InChIKeyUGDSYGHDYFSOJQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.42
Rot. Bonds2

About 7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane

7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane (PubChem CID 11601092) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane
PubChem CID11601092
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane
SMILESCOc1cncc(N2CCC3(CCCN3)C2)c1
InChIInChI=1S/C13H19N3O/c1-17-12-7-11(8-14-9-12)16-6-4-13(10-16)3-2-5-15-13/h7-9,15H,2-6,10H2,1H3
InChIKeyUGDSYGHDYFSOJQ-UHFFFAOYSA-N
XLogP1.42
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane?
The IUPAC name of 7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane (CID 11601092) is 7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane?
The canonical SMILES for 7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane is COc1cncc(N2CCC3(CCCN3)C2)c1.
What is the InChIKey of 7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane?
The InChIKey is UGDSYGHDYFSOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-17-12-7-11(8-14-9-12)16-6-4-13(10-16)3-2-5-15-13/h7-9,15H,2-6,10H2,1H3.
What are the key properties of 7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane?
7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane has a molecular weight of 233.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methoxy-3-pyridinyl)-1,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 11601092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).