5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one

C13H22N2O2 — CID 64865284

IUPAC5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one
SMILESCC1(C)C(NC2CCC(=O)NC2)C2CCOC21
InChIInChI=1S/C13H22N2O2/c1-13(2)11(9-5-6-17-12(9)13)15-8-3-4-10(16)14-7-8/h8-9,11-12,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyNITYDDMCHDYUAR-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.67
Rot. Bonds2

About 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one

5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one (PubChem CID 64865284) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one
PubChem CID64865284
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one
SMILESCC1(C)C(NC2CCC(=O)NC2)C2CCOC21
InChIInChI=1S/C13H22N2O2/c1-13(2)11(9-5-6-17-12(9)13)15-8-3-4-10(16)14-7-8/h8-9,11-12,15H,3-7H2,1-2H3,(H,14,16)
InChIKeyNITYDDMCHDYUAR-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one?
The IUPAC name of 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one (CID 64865284) is 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one.
What is the SMILES notation for 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one?
The canonical SMILES for 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one is CC1(C)C(NC2CCC(=O)NC2)C2CCOC21.
What is the InChIKey of 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one?
The InChIKey is NITYDDMCHDYUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2)11(9-5-6-17-12(9)13)15-8-3-4-10(16)14-7-8/h8-9,11-12,15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one?
5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one has a molecular weight of 238.33 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]piperidin-2-one is sourced from PubChem (CID 64865284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).