8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane

C13H18N2O3 — CID 113236174

IUPAC8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C13H18N2O3/c1-16-11-2-3-12(14-10-11)15-6-4-13(5-7-15)17-8-9-18-13/h2-3,10H,4-9H2,1H3
InChIKeyTVRMDYCIPPDERP-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.43
Rot. Bonds2

About 8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 113236174) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID113236174
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCOc1ccc(N2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C13H18N2O3/c1-16-11-2-3-12(14-10-11)15-6-4-13(5-7-15)17-8-9-18-13/h2-3,10H,4-9H2,1H3
InChIKeyTVRMDYCIPPDERP-UHFFFAOYSA-N
XLogP1.43
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 113236174) is 8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane is COc1ccc(N2CCC3(CC2)OCCO3)nc1.
What is the InChIKey of 8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is TVRMDYCIPPDERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-16-11-2-3-12(14-10-11)15-6-4-13(5-7-15)17-8-9-18-13/h2-3,10H,4-9H2,1H3.
What are the key properties of 8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 250.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 113236174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).