1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one

C11H18N2O — CID 64567657

IUPAC1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one
SMILESO=C1CNCCN1C1CC2CCC1C2
InChIInChI=1S/C11H18N2O/c14-11-7-12-3-4-13(11)10-6-8-1-2-9(10)5-8/h8-10,12H,1-7H2
InChIKeyCFOWHACBHCSCIQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one

1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one (PubChem CID 64567657) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one
PubChem CID64567657
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one
SMILESO=C1CNCCN1C1CC2CCC1C2
InChIInChI=1S/C11H18N2O/c14-11-7-12-3-4-13(11)10-6-8-1-2-9(10)5-8/h8-10,12H,1-7H2
InChIKeyCFOWHACBHCSCIQ-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one (CID 64567657) is 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one is O=C1CNCCN1C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one?
The InChIKey is CFOWHACBHCSCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11-7-12-3-4-13(11)10-6-8-1-2-9(10)5-8/h8-10,12H,1-7H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one?
1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one has a molecular weight of 194.28 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)piperazin-2-one is sourced from PubChem (CID 64567657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).