5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one

C12H20N2O2 — CID 64655286

IUPAC5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one
SMILESCN1CC(NCC2CCC=CO2)CCC1=O
InChIInChI=1S/C12H20N2O2/c1-14-9-10(5-6-12(14)15)13-8-11-4-2-3-7-16-11/h3,7,10-11,13H,2,4-6,8-9H2,1H3
InChIKeySOLSKSKKTQNSNM-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.89
Rot. Bonds3

About 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one

5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one (PubChem CID 64655286) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one
PubChem CID64655286
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one
SMILESCN1CC(NCC2CCC=CO2)CCC1=O
InChIInChI=1S/C12H20N2O2/c1-14-9-10(5-6-12(14)15)13-8-11-4-2-3-7-16-11/h3,7,10-11,13H,2,4-6,8-9H2,1H3
InChIKeySOLSKSKKTQNSNM-UHFFFAOYSA-N
XLogP0.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-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 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one?
The IUPAC name of 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one (CID 64655286) is 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one.
What is the SMILES notation for 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one?
The canonical SMILES for 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one is CN1CC(NCC2CCC=CO2)CCC1=O.
What is the InChIKey of 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one?
The InChIKey is SOLSKSKKTQNSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-14-9-10(5-6-12(14)15)13-8-11-4-2-3-7-16-11/h3,7,10-11,13H,2,4-6,8-9H2,1H3.
What are the key properties of 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one?
5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one has a molecular weight of 224.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-methylpiperidin-2-one is sourced from PubChem (CID 64655286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).