2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane

C16H25N3O — CID 102849320

IUPAC2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane
SMILESCOc1ccc(CN2CCCC3(CCCNC3)C2)cn1
InChIInChI=1S/C16H25N3O/c1-20-15-5-4-14(10-18-15)11-19-9-3-7-16(13-19)6-2-8-17-12-16/h4-5,10,17H,2-3,6-9,11-13H2,1H3
InChIKeyRJWKCZZGKSYODY-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.06
Rot. Bonds3

About 2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane

2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane (PubChem CID 102849320) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane
PubChem CID102849320
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane
SMILESCOc1ccc(CN2CCCC3(CCCNC3)C2)cn1
InChIInChI=1S/C16H25N3O/c1-20-15-5-4-14(10-18-15)11-19-9-3-7-16(13-19)6-2-8-17-12-16/h4-5,10,17H,2-3,6-9,11-13H2,1H3
InChIKeyRJWKCZZGKSYODY-UHFFFAOYSA-N
XLogP2.06
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane (CID 102849320) is 2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane is COc1ccc(CN2CCCC3(CCCNC3)C2)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane?
The InChIKey is RJWKCZZGKSYODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-20-15-5-4-14(10-18-15)11-19-9-3-7-16(13-19)6-2-8-17-12-16/h4-5,10,17H,2-3,6-9,11-13H2,1H3.
What are the key properties of 2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane?
2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane has a molecular weight of 275.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102849320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).