2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one

C14H18N2O2 — CID 86050913

IUPAC2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
SMILESCOc1ccc(CC2C(=O)C3CCN2CC3)cn1
InChIInChI=1S/C14H18N2O2/c1-18-13-3-2-10(9-15-13)8-12-14(17)11-4-6-16(12)7-5-11/h2-3,9,11-12H,4-8H2,1H3
InChIKeyRLXMWRPYOLVUCL-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.30
Rot. Bonds3

About 2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one

2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one (PubChem CID 86050913) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one.

Molecular Properties

Compound Name2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
PubChem CID86050913
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one
SMILESCOc1ccc(CC2C(=O)C3CCN2CC3)cn1
InChIInChI=1S/C14H18N2O2/c1-18-13-3-2-10(9-15-13)8-12-14(17)11-4-6-16(12)7-5-11/h2-3,9,11-12H,4-8H2,1H3
InChIKeyRLXMWRPYOLVUCL-UHFFFAOYSA-N
XLogP1.30
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-methoxy-3-pyridinyl)methyl]-3-(methylamino)pyrrolidin-2-one
CID 55140549
1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione
CID 62992277
3-bromo-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-2-one
CID 63789999
2-[(6-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CID 86050903
1-[(6-methoxy-3-pyridinyl)methyl]-N-methylpiperidin-4-amine
CID 62994180
1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79406431
N-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363784
2-methoxy-5-[[(2S)-2-methylpiperidin-1-yl]methyl]pyridine
CID 95789080
4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione
CID 55237904
tert-butyl (3S)-3-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-1-carboxylate;sulfane
CID 161346804
1-[[(2R,5S)-5-[(6-methoxy-3-pyridinyl)methyl]oxolan-2-yl]methyl]piperidine-4-carboxylic acid
CID 56907445
2-[(6-methoxy-3-pyridinyl)methyl]-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926602

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one?
The IUPAC name of 2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one (CID 86050913) is 2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one.
What is the SMILES notation for 2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one?
The canonical SMILES for 2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one is COc1ccc(CC2C(=O)C3CCN2CC3)cn1.
What is the InChIKey of 2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one?
The InChIKey is RLXMWRPYOLVUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-18-13-3-2-10(9-15-13)8-12-14(17)11-4-6-16(12)7-5-11/h2-3,9,11-12H,4-8H2,1H3.
What are the key properties of 2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one?
2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one has a molecular weight of 246.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.2]octan-3-one is sourced from PubChem (CID 86050913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).