N-(8-azabicyclo[3.2.1]octan-3-yl)oxane-4-carboxamide

C13H22N2O2 — CID 61237554

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)oxane-4-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)C1CCOCC1
InChIInChI=1S/C13H22N2O2/c16-13(9-3-5-17-6-4-9)15-12-7-10-1-2-11(8-12)14-10/h9-12,14H,1-8H2,(H,15,16)
InChIKeyVYIYNUVFLICXIH-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.81
Rot. Bonds2

About N-(8-azabicyclo[3.2.1]octan-3-yl)oxane-4-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)oxane-4-carboxamide (PubChem CID 61237554) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)oxane-4-carboxamide
PubChem CID61237554
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)oxane-4-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2)C1CCOCC1
InChIInChI=1S/C13H22N2O2/c16-13(9-3-5-17-6-4-9)15-12-7-10-1-2-11(8-12)14-10/h9-12,14H,1-8H2,(H,15,16)
InChIKeyVYIYNUVFLICXIH-UHFFFAOYSA-N
XLogP0.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)oxane-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)oxane-4-carboxamide (CID 61237554) is N-(8-azabicyclo[3.2.1]octan-3-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)oxane-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)oxane-4-carboxamide is O=C(NC1CC2CCC(C1)N2)C1CCOCC1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)oxane-4-carboxamide?
The InChIKey is VYIYNUVFLICXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-13(9-3-5-17-6-4-9)15-12-7-10-1-2-11(8-12)14-10/h9-12,14H,1-8H2,(H,15,16).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)oxane-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)oxane-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 61237554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).