(6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

C13H22N2O2 — CID 66372243

IUPAC(6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCC1CCCC(C(=O)N2CC3CCC(C2)O3)N1
InChIInChI=1S/C13H22N2O2/c1-9-3-2-4-12(14-9)13(16)15-7-10-5-6-11(8-15)17-10/h9-12,14H,2-8H2,1H3
InChIKeySDHQQHNHQBQXSK-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.91
Rot. Bonds1

About (6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone

(6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (PubChem CID 66372243) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.

Molecular Properties

Compound Name(6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
PubChem CID66372243
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
SMILESCC1CCCC(C(=O)N2CC3CCC(C2)O3)N1
InChIInChI=1S/C13H22N2O2/c1-9-3-2-4-12(14-9)13(16)15-7-10-5-6-11(8-15)17-10/h9-12,14H,2-8H2,1H3
InChIKeySDHQQHNHQBQXSK-UHFFFAOYSA-N
XLogP0.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The IUPAC name of (6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone (CID 66372243) is (6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone.
What is the SMILES notation for (6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The canonical SMILES for (6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is CC1CCCC(C(=O)N2CC3CCC(C2)O3)N1.
What is the InChIKey of (6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
The InChIKey is SDHQQHNHQBQXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-3-2-4-12(14-9)13(16)15-7-10-5-6-11(8-15)17-10/h9-12,14H,2-8H2,1H3.
What are the key properties of (6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone?
(6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone has a molecular weight of 238.33 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpiperidin-2-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone is sourced from PubChem (CID 66372243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).