3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one

C18H19NO4 — CID 131838489

IUPAC3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one
SMILESCN1C(=O)C(O)C(c2ccccc2)C(O)(c2ccccc2)C1O
InChIInChI=1S/C18H19NO4/c1-19-16(21)15(20)14(12-8-4-2-5-9-12)18(23,17(19)22)13-10-6-3-7-11-13/h2-11,14-15,17,20,22-23H,1H3
InChIKeyCNACHALKENTRTL-UHFFFAOYSA-N
MW313.35 g/mol
LogP0.81
Rot. Bonds2

About 3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one

3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one (PubChem CID 131838489) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one.

Molecular Properties

Compound Name3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one
PubChem CID131838489
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one
SMILESCN1C(=O)C(O)C(c2ccccc2)C(O)(c2ccccc2)C1O
InChIInChI=1S/C18H19NO4/c1-19-16(21)15(20)14(12-8-4-2-5-9-12)18(23,17(19)22)13-10-6-3-7-11-13/h2-11,14-15,17,20,22-23H,1H3
InChIKeyCNACHALKENTRTL-UHFFFAOYSA-N
XLogP0.81
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-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 3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one?
The IUPAC name of 3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one (CID 131838489) is 3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one.
What is the SMILES notation for 3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one?
The canonical SMILES for 3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one is CN1C(=O)C(O)C(c2ccccc2)C(O)(c2ccccc2)C1O.
What is the InChIKey of 3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one?
The InChIKey is CNACHALKENTRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-19-16(21)15(20)14(12-8-4-2-5-9-12)18(23,17(19)22)13-10-6-3-7-11-13/h2-11,14-15,17,20,22-23H,1H3.
What are the key properties of 3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one?
3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one has a molecular weight of 313.35 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trihydroxy-1-methyl-4,5-diphenylpiperidin-2-one is sourced from PubChem (CID 131838489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).