3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyran-4-one

C16H24N2O4 — CID 71591067

IUPAC3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCC(N3CCOCC3)CC2)o1
InChIInChI=1S/C16H24N2O4/c1-12-10-14(19)16(20)15(22-12)11-17-4-2-13(3-5-17)18-6-8-21-9-7-18/h10,13,20H,2-9,11H2,1H3
InChIKeyHSWDYVHMDLNJFH-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.95
Rot. Bonds3

About 3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyran-4-one

3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyran-4-one (PubChem CID 71591067) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyran-4-one
PubChem CID71591067
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCC(N3CCOCC3)CC2)o1
InChIInChI=1S/C16H24N2O4/c1-12-10-14(19)16(20)15(22-12)11-17-4-2-13(3-5-17)18-6-8-21-9-7-18/h10,13,20H,2-9,11H2,1H3
InChIKeyHSWDYVHMDLNJFH-UHFFFAOYSA-N
XLogP0.95
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]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 3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyran-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyran-4-one (CID 71591067) is 3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyran-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyran-4-one is Cc1cc(=O)c(O)c(CN2CCC(N3CCOCC3)CC2)o1.
What is the InChIKey of 3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyran-4-one?
The InChIKey is HSWDYVHMDLNJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-12-10-14(19)16(20)15(22-12)11-17-4-2-13(3-5-17)18-6-8-21-9-7-18/h10,13,20H,2-9,11H2,1H3.
What are the key properties of 3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyran-4-one?
3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyran-4-one has a molecular weight of 308.38 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-[(4-morpholin-4-ylpiperidin-1-yl)methyl]pyran-4-one is sourced from PubChem (CID 71591067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).