(3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one

C14H27NO4 — CID 44565995

IUPAC(3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one
SMILESCCCCCCCCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O
InChIInChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-15-10-11(16)12(17)13(18)14(15)19/h11-13,16-18H,2-10H2,1H3/t11-,12-,13+/m1/s1
InChIKeyHQKWSTDXENDNQF-UPJWGTAASA-N
MW273.37 g/mol
LogP0.66
Rot. Bonds8

About (3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one

(3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one (PubChem CID 44565995) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is (3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one.

Molecular Properties

Compound Name(3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one
PubChem CID44565995
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name(3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one
SMILESCCCCCCCCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O
InChIInChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-15-10-11(16)12(17)13(18)14(15)19/h11-13,16-18H,2-10H2,1H3/t11-,12-,13+/m1/s1
InChIKeyHQKWSTDXENDNQF-UPJWGTAASA-N
XLogP0.66
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-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 (3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one?
The IUPAC name of (3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one (CID 44565995) is (3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one.
What is the SMILES notation for (3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one?
The canonical SMILES for (3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one is CCCCCCCCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O.
What is the InChIKey of (3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one?
The InChIKey is HQKWSTDXENDNQF-UPJWGTAASA-N. The full InChI is InChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-15-10-11(16)12(17)13(18)14(15)19/h11-13,16-18H,2-10H2,1H3/t11-,12-,13+/m1/s1.
What are the key properties of (3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one?
(3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one has a molecular weight of 273.37 g/mol, XLogP of 0.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3,4,5-trihydroxy-1-nonylpiperidin-2-one is sourced from PubChem (CID 44565995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).