3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-4-one

C16H26N2O2 — CID 82217276

IUPAC3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-4-one
SMILESCCCn1c(C)cc(=O)c(O)c1CN1CCCCC1C
InChIInChI=1S/C16H26N2O2/c1-4-8-18-13(3)10-15(19)16(20)14(18)11-17-9-6-5-7-12(17)2/h10,12,20H,4-9,11H2,1-3H3
InChIKeyAKDZIBKEBSUSCC-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.65
Rot. Bonds4

About 3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-4-one

3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-4-one (PubChem CID 82217276) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-4-one
PubChem CID82217276
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-4-one
SMILESCCCn1c(C)cc(=O)c(O)c1CN1CCCCC1C
InChIInChI=1S/C16H26N2O2/c1-4-8-18-13(3)10-15(19)16(20)14(18)11-17-9-6-5-7-12(17)2/h10,12,20H,4-9,11H2,1-3H3
InChIKeyAKDZIBKEBSUSCC-UHFFFAOYSA-N
XLogP2.65
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-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-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-4-one (CID 82217276) is 3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-4-one is CCCn1c(C)cc(=O)c(O)c1CN1CCCCC1C.
What is the InChIKey of 3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-4-one?
The InChIKey is AKDZIBKEBSUSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-8-18-13(3)10-15(19)16(20)14(18)11-17-9-6-5-7-12(17)2/h10,12,20H,4-9,11H2,1-3H3.
What are the key properties of 3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-4-one?
3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-4-one has a molecular weight of 278.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1-propylpyridin-4-one is sourced from PubChem (CID 82217276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).