3-[3-(methylaminomethyl)piperidin-1-yl]oxolan-2-one

C11H20N2O2 — CID 61205499

IUPAC3-[3-(methylaminomethyl)piperidin-1-yl]oxolan-2-one
SMILESCNCC1CCCN(C2CCOC2=O)C1
InChIInChI=1S/C11H20N2O2/c1-12-7-9-3-2-5-13(8-9)10-4-6-15-11(10)14/h9-10,12H,2-8H2,1H3
InChIKeyZGXXTMICGNSCGV-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.23
Rot. Bonds3

About 3-[3-(methylaminomethyl)piperidin-1-yl]oxolan-2-one

3-[3-(methylaminomethyl)piperidin-1-yl]oxolan-2-one (PubChem CID 61205499) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[3-(methylaminomethyl)piperidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[3-(methylaminomethyl)piperidin-1-yl]oxolan-2-one
PubChem CID61205499
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[3-(methylaminomethyl)piperidin-1-yl]oxolan-2-one
SMILESCNCC1CCCN(C2CCOC2=O)C1
InChIInChI=1S/C11H20N2O2/c1-12-7-9-3-2-5-13(8-9)10-4-6-15-11(10)14/h9-10,12H,2-8H2,1H3
InChIKeyZGXXTMICGNSCGV-UHFFFAOYSA-N
XLogP0.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylaminomethyl)piperidin-1-yl]oxolan-2-one?
The IUPAC name of 3-[3-(methylaminomethyl)piperidin-1-yl]oxolan-2-one (CID 61205499) is 3-[3-(methylaminomethyl)piperidin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[3-(methylaminomethyl)piperidin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[3-(methylaminomethyl)piperidin-1-yl]oxolan-2-one is CNCC1CCCN(C2CCOC2=O)C1.
What is the InChIKey of 3-[3-(methylaminomethyl)piperidin-1-yl]oxolan-2-one?
The InChIKey is ZGXXTMICGNSCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12-7-9-3-2-5-13(8-9)10-4-6-15-11(10)14/h9-10,12H,2-8H2,1H3.
What are the key properties of 3-[3-(methylaminomethyl)piperidin-1-yl]oxolan-2-one?
3-[3-(methylaminomethyl)piperidin-1-yl]oxolan-2-one has a molecular weight of 212.29 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylaminomethyl)piperidin-1-yl]oxolan-2-one is sourced from PubChem (CID 61205499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).