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

C17H28N2O2 — CID 82217264

IUPAC2-[(2-ethylpiperidin-1-yl)methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one
SMILESCCCn1c(C)cc(=O)c(O)c1CN1CCCCC1CC
InChIInChI=1S/C17H28N2O2/c1-4-9-19-13(3)11-16(20)17(21)15(19)12-18-10-7-6-8-14(18)5-2/h11,14,21H,4-10,12H2,1-3H3
InChIKeyDWKLQPYFVHMTJH-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.04
Rot. Bonds5

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

2-[(2-ethylpiperidin-1-yl)methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one (PubChem CID 82217264) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[(2-ethylpiperidin-1-yl)methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one.

Molecular Properties

Compound Name2-[(2-ethylpiperidin-1-yl)methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one
PubChem CID82217264
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[(2-ethylpiperidin-1-yl)methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one
SMILESCCCn1c(C)cc(=O)c(O)c1CN1CCCCC1CC
InChIInChI=1S/C17H28N2O2/c1-4-9-19-13(3)11-16(20)17(21)15(19)12-18-10-7-6-8-14(18)5-2/h11,14,21H,4-10,12H2,1-3H3
InChIKeyDWKLQPYFVHMTJH-UHFFFAOYSA-N
XLogP3.04
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-ethylpiperidin-1-yl)methyl]-3-hydroxy-6-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 2-[(2-ethylpiperidin-1-yl)methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one?
The IUPAC name of 2-[(2-ethylpiperidin-1-yl)methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one (CID 82217264) is 2-[(2-ethylpiperidin-1-yl)methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one.
What is the SMILES notation for 2-[(2-ethylpiperidin-1-yl)methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one?
The canonical SMILES for 2-[(2-ethylpiperidin-1-yl)methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one is CCCn1c(C)cc(=O)c(O)c1CN1CCCCC1CC.
What is the InChIKey of 2-[(2-ethylpiperidin-1-yl)methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one?
The InChIKey is DWKLQPYFVHMTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-4-9-19-13(3)11-16(20)17(21)15(19)12-18-10-7-6-8-14(18)5-2/h11,14,21H,4-10,12H2,1-3H3.
What are the key properties of 2-[(2-ethylpiperidin-1-yl)methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one?
2-[(2-ethylpiperidin-1-yl)methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one has a molecular weight of 292.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylpiperidin-1-yl)methyl]-3-hydroxy-6-methyl-1-propylpyridin-4-one is sourced from PubChem (CID 82217264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).