(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone

C14H23NO3 — CID 122269046

IUPAC(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone
SMILESCOC1CC2CCC(C1)N2C(=O)C1CCOCC1
InChIInChI=1S/C14H23NO3/c1-17-13-8-11-2-3-12(9-13)15(11)14(16)10-4-6-18-7-5-10/h10-13H,2-9H2,1H3
InChIKeyJXXHCJYYJGTXCR-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.58
Rot. Bonds2

About (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone

(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone (PubChem CID 122269046) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone
PubChem CID122269046
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone
SMILESCOC1CC2CCC(C1)N2C(=O)C1CCOCC1
InChIInChI=1S/C14H23NO3/c1-17-13-8-11-2-3-12(9-13)15(11)14(16)10-4-6-18-7-5-10/h10-13H,2-9H2,1H3
InChIKeyJXXHCJYYJGTXCR-UHFFFAOYSA-N
XLogP1.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone?
The IUPAC name of (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone (CID 122269046) is (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone is COC1CC2CCC(C1)N2C(=O)C1CCOCC1.
What is the InChIKey of (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone?
The InChIKey is JXXHCJYYJGTXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-17-13-8-11-2-3-12(9-13)15(11)14(16)10-4-6-18-7-5-10/h10-13H,2-9H2,1H3.
What are the key properties of (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone?
(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone has a molecular weight of 253.34 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 122269046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).