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

C13H24N2O3 — CID 63847816

IUPAC3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]oxolan-2-one
SMILESCOCCNCC1CCCN(C2CCOC2=O)C1
InChIInChI=1S/C13H24N2O3/c1-17-8-5-14-9-11-3-2-6-15(10-11)12-4-7-18-13(12)16/h11-12,14H,2-10H2,1H3
InChIKeyZZACPKTZNXBMIR-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.25
Rot. Bonds6

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

3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]oxolan-2-one (PubChem CID 63847816) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]oxolan-2-one.

Molecular Properties

Compound Name3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]oxolan-2-one
PubChem CID63847816
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]oxolan-2-one
SMILESCOCCNCC1CCCN(C2CCOC2=O)C1
InChIInChI=1S/C13H24N2O3/c1-17-8-5-14-9-11-3-2-6-15(10-11)12-4-7-18-13(12)16/h11-12,14H,2-10H2,1H3
InChIKeyZZACPKTZNXBMIR-UHFFFAOYSA-N
XLogP0.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]oxolan-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-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]oxolan-2-one?
The IUPAC name of 3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]oxolan-2-one (CID 63847816) is 3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]oxolan-2-one.
What is the SMILES notation for 3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]oxolan-2-one?
The canonical SMILES for 3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]oxolan-2-one is COCCNCC1CCCN(C2CCOC2=O)C1.
What is the InChIKey of 3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]oxolan-2-one?
The InChIKey is ZZACPKTZNXBMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-17-8-5-14-9-11-3-2-6-15(10-11)12-4-7-18-13(12)16/h11-12,14H,2-10H2,1H3.
What are the key properties of 3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]oxolan-2-one?
3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]oxolan-2-one has a molecular weight of 256.35 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]oxolan-2-one is sourced from PubChem (CID 63847816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).