3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one

C11H20N2O2 — CID 82836369

IUPAC3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one
SMILESCC1CCC(CNC2CCCNC2=O)O1
InChIInChI=1S/C11H20N2O2/c1-8-4-5-9(15-8)7-13-10-3-2-6-12-11(10)14/h8-10,13H,2-7H2,1H3,(H,12,14)
InChIKeyAHOFDPXBWPFWIH-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.42
Rot. Bonds3

About 3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one

3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one (PubChem CID 82836369) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one
PubChem CID82836369
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one
SMILESCC1CCC(CNC2CCCNC2=O)O1
InChIInChI=1S/C11H20N2O2/c1-8-4-5-9(15-8)7-13-10-3-2-6-12-11(10)14/h8-10,13H,2-7H2,1H3,(H,12,14)
InChIKeyAHOFDPXBWPFWIH-UHFFFAOYSA-N
XLogP0.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(5-methyloxolan-2-yl)methylamino]piperidin-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 3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one?
The IUPAC name of 3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one (CID 82836369) is 3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one.
What is the SMILES notation for 3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one?
The canonical SMILES for 3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one is CC1CCC(CNC2CCCNC2=O)O1.
What is the InChIKey of 3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one?
The InChIKey is AHOFDPXBWPFWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-4-5-9(15-8)7-13-10-3-2-6-12-11(10)14/h8-10,13H,2-7H2,1H3,(H,12,14).
What are the key properties of 3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one?
3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyloxolan-2-yl)methylamino]piperidin-2-one is sourced from PubChem (CID 82836369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).