ethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate

C16H22N2O2 — CID 117050776

IUPACethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate
SMILESCCOC(=O)CC1CCC2CC1CN2c1ccncc1
InChIInChI=1S/C16H22N2O2/c1-2-20-16(19)10-12-3-4-15-9-13(12)11-18(15)14-5-7-17-8-6-14/h5-8,12-13,15H,2-4,9-11H2,1H3
InChIKeyGVAWLJKFWUDWKD-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.64
Rot. Bonds4

About ethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate

ethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate (PubChem CID 117050776) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate
PubChem CID117050776
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Nameethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate
SMILESCCOC(=O)CC1CCC2CC1CN2c1ccncc1
InChIInChI=1S/C16H22N2O2/c1-2-20-16(19)10-12-3-4-15-9-13(12)11-18(15)14-5-7-17-8-6-14/h5-8,12-13,15H,2-4,9-11H2,1H3
InChIKeyGVAWLJKFWUDWKD-UHFFFAOYSA-N
XLogP2.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate with MolForge

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Related Compounds

ethyl 2-(2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-yl)acetate
CID 117050421
2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-amine
CID 117050368
2-pyridin-4-yl-2-azabicyclo[2.2.2]octan-5-ol
CID 117050343
ethyl 4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]benzoate
CID 70672819
ethyl 3-[2-(2-aminoethyl)-6-azabicyclo[3.2.1]octan-6-yl]propanoate
CID 117050827
ethyl 3-[5-(2-ethoxy-2-oxoethyl)-2-azabicyclo[2.2.2]octan-2-yl]propanoate
CID 117050417
ethyl 2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]acetate
CID 151513288
ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate
CID 157278253
ethyl 2-[1-(pyridin-4-ylmethyl)piperazin-2-yl]acetate
CID 134465394
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
ethyl 2-[(1R,6R)-6-(2-ethoxy-2-oxoethyl)cyclohex-3-en-1-yl]acetate
CID 11097129
ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate
CID 171935476

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate?
The IUPAC name of ethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate (CID 117050776) is ethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate.
What is the SMILES notation for ethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate?
The canonical SMILES for ethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate is CCOC(=O)CC1CCC2CC1CN2c1ccncc1.
What is the InChIKey of ethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate?
The InChIKey is GVAWLJKFWUDWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-2-20-16(19)10-12-3-4-15-9-13(12)11-18(15)14-5-7-17-8-6-14/h5-8,12-13,15H,2-4,9-11H2,1H3.
What are the key properties of ethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate?
ethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate has a molecular weight of 274.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-pyridin-4-yl-6-azabicyclo[3.2.1]octan-2-yl)acetate is sourced from PubChem (CID 117050776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).