8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one

C13H22N2O — CID 62739795

IUPAC8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCN1CCCC(N2C3CCC2CC(=O)C3)C1
InChIInChI=1S/C13H22N2O/c1-14-6-2-3-12(9-14)15-10-4-5-11(15)8-13(16)7-10/h10-12H,2-9H2,1H3
InChIKeyBORXAGQPTNYLCM-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.28
Rot. Bonds1

About 8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one

8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 62739795) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID62739795
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCN1CCCC(N2C3CCC2CC(=O)C3)C1
InChIInChI=1S/C13H22N2O/c1-14-6-2-3-12(9-14)15-10-4-5-11(15)8-13(16)7-10/h10-12H,2-9H2,1H3
InChIKeyBORXAGQPTNYLCM-UHFFFAOYSA-N
XLogP1.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one (CID 62739795) is 8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one is CN1CCCC(N2C3CCC2CC(=O)C3)C1.
What is the InChIKey of 8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is BORXAGQPTNYLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-14-6-2-3-12(9-14)15-10-4-5-11(15)8-13(16)7-10/h10-12H,2-9H2,1H3.
What are the key properties of 8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one?
8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 222.33 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpiperidin-3-yl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 62739795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).