2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-one

C12H17NO3 — CID 84688341

IUPAC2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-one
SMILESCc1occc(=O)c1OCC1CCNCC1
InChIInChI=1S/C12H17NO3/c1-9-12(11(14)4-7-15-9)16-8-10-2-5-13-6-3-10/h4,7,10,13H,2-3,5-6,8H2,1H3
InChIKeyLZMWALUIFCIZPS-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.33
Rot. Bonds3

About 2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-one

2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-one (PubChem CID 84688341) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-one.

Molecular Properties

Compound Name2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-one
PubChem CID84688341
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-one
SMILESCc1occc(=O)c1OCC1CCNCC1
InChIInChI=1S/C12H17NO3/c1-9-12(11(14)4-7-15-9)16-8-10-2-5-13-6-3-10/h4,7,10,13H,2-3,5-6,8H2,1H3
InChIKeyLZMWALUIFCIZPS-UHFFFAOYSA-N
XLogP1.33
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-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 2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-one?
The IUPAC name of 2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-one (CID 84688341) is 2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-one.
What is the SMILES notation for 2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-one?
The canonical SMILES for 2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-one is Cc1occc(=O)c1OCC1CCNCC1.
What is the InChIKey of 2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-one?
The InChIKey is LZMWALUIFCIZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-12(11(14)4-7-15-9)16-8-10-2-5-13-6-3-10/h4,7,10,13H,2-3,5-6,8H2,1H3.
What are the key properties of 2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-one?
2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-one has a molecular weight of 223.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperidin-4-ylmethoxy)pyran-4-one is sourced from PubChem (CID 84688341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).