9-[(6-methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane

C15H22N2O3 — CID 122139662

IUPAC9-[(6-methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCOc1cccc(CN2CC(C)OC3(CCOC3)C2)n1
InChIInChI=1S/C15H22N2O3/c1-12-8-17(10-15(20-12)6-7-19-11-15)9-13-4-3-5-14(16-13)18-2/h3-5,12H,6-11H2,1-2H3
InChIKeyVTKDGWXTTCLWST-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.47
Rot. Bonds3

About 9-[(6-methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane

9-[(6-methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 122139662) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 9-[(6-methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(6-methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID122139662
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name9-[(6-methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCOc1cccc(CN2CC(C)OC3(CCOC3)C2)n1
InChIInChI=1S/C15H22N2O3/c1-12-8-17(10-15(20-12)6-7-19-11-15)9-13-4-3-5-14(16-13)18-2/h3-5,12H,6-11H2,1-2H3
InChIKeyVTKDGWXTTCLWST-UHFFFAOYSA-N
XLogP1.47
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(6-methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[(6-methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane (CID 122139662) is 9-[(6-methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[(6-methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[(6-methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane is COc1cccc(CN2CC(C)OC3(CCOC3)C2)n1.
What is the InChIKey of 9-[(6-methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is VTKDGWXTTCLWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12-8-17(10-15(20-12)6-7-19-11-15)9-13-4-3-5-14(16-13)18-2/h3-5,12H,6-11H2,1-2H3.
What are the key properties of 9-[(6-methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane?
9-[(6-methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 278.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(6-methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 122139662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).