(3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one

C15H29NO4 — CID 44566033

IUPAC(3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one
SMILESCCCCCCCCCCN1C[C@@H](O)[C@@H](O)[C@@H](O)C1=O
InChIInChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-10-16-11-12(17)13(18)14(19)15(16)20/h12-14,17-19H,2-11H2,1H3/t12-,13-,14-/m1/s1
InChIKeyAJVIZOMIDNOVIX-MGPQQGTHSA-N
MW287.40 g/mol
LogP1.05
Rot. Bonds9

About (3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one

(3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one (PubChem CID 44566033) has the molecular formula C15H29NO4 and a molecular weight of 287.40 g/mol. Its IUPAC name is (3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one.

Molecular Properties

Compound Name(3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one
PubChem CID44566033
Molecular FormulaC15H29NO4
Molecular Weight287.40 g/mol
Exact Mass287.21
IUPAC Name(3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one
SMILESCCCCCCCCCCN1C[C@@H](O)[C@@H](O)[C@@H](O)C1=O
InChIInChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-10-16-11-12(17)13(18)14(19)15(16)20/h12-14,17-19H,2-11H2,1H3/t12-,13-,14-/m1/s1
InChIKeyAJVIZOMIDNOVIX-MGPQQGTHSA-N
XLogP1.05
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-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 (3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one?
The IUPAC name of (3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one (CID 44566033) is (3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one.
What is the SMILES notation for (3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one?
The canonical SMILES for (3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one is CCCCCCCCCCN1C[C@@H](O)[C@@H](O)[C@@H](O)C1=O.
What is the InChIKey of (3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one?
The InChIKey is AJVIZOMIDNOVIX-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-10-16-11-12(17)13(18)14(19)15(16)20/h12-14,17-19H,2-11H2,1H3/t12-,13-,14-/m1/s1.
What are the key properties of (3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one?
(3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one has a molecular weight of 287.40 g/mol, XLogP of 1.05, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-1-decyl-3,4,5-trihydroxypiperidin-2-one is sourced from PubChem (CID 44566033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).