5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one

C13H22N2O — CID 64654722

IUPAC5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one
SMILESCN1CC(NC2CC3CCC2C3)CCC1=O
InChIInChI=1S/C13H22N2O/c1-15-8-11(4-5-13(15)16)14-12-7-9-2-3-10(12)6-9/h9-12,14H,2-8H2,1H3
InChIKeyPIYLQPFYJBPVPY-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.39
Rot. Bonds2

About 5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one

5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one (PubChem CID 64654722) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one
PubChem CID64654722
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one
SMILESCN1CC(NC2CC3CCC2C3)CCC1=O
InChIInChI=1S/C13H22N2O/c1-15-8-11(4-5-13(15)16)14-12-7-9-2-3-10(12)6-9/h9-12,14H,2-8H2,1H3
InChIKeyPIYLQPFYJBPVPY-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one (CID 64654722) is 5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one is CN1CC(NC2CC3CCC2C3)CCC1=O.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one?
The InChIKey is PIYLQPFYJBPVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15-8-11(4-5-13(15)16)14-12-7-9-2-3-10(12)6-9/h9-12,14H,2-8H2,1H3.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one?
5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one has a molecular weight of 222.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one is sourced from PubChem (CID 64654722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).