1-tert-butyl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one

C17H28N2O2 — CID 82217311

IUPAC1-tert-butyl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCCCC2C)n1C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-12-8-6-7-9-18(12)11-14-16(21)15(20)10-13(2)19(14)17(3,4)5/h10,12,21H,6-9,11H2,1-5H3
InChIKeyXXGGFBWASPUBTJ-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.99
Rot. Bonds2

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

1-tert-butyl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one (PubChem CID 82217311) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-tert-butyl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-tert-butyl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
PubChem CID82217311
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-tert-butyl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one
SMILESCc1cc(=O)c(O)c(CN2CCCCC2C)n1C(C)(C)C
InChIInChI=1S/C17H28N2O2/c1-12-8-6-7-9-18(12)11-14-16(21)15(20)10-13(2)19(14)17(3,4)5/h10,12,21H,6-9,11H2,1-5H3
InChIKeyXXGGFBWASPUBTJ-UHFFFAOYSA-N
XLogP2.99
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-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 1-tert-butyl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one?
The IUPAC name of 1-tert-butyl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one (CID 82217311) is 1-tert-butyl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one.
What is the SMILES notation for 1-tert-butyl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one?
The canonical SMILES for 1-tert-butyl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one is Cc1cc(=O)c(O)c(CN2CCCCC2C)n1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one?
The InChIKey is XXGGFBWASPUBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-12-8-6-7-9-18(12)11-14-16(21)15(20)10-13(2)19(14)17(3,4)5/h10,12,21H,6-9,11H2,1-5H3.
What are the key properties of 1-tert-butyl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one?
1-tert-butyl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one has a molecular weight of 292.42 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-hydroxy-6-methyl-2-[(2-methylpiperidin-1-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82217311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).