tert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate

C15H27NO4 — CID 54533699

IUPACtert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate
SMILESCCCCC1CC(C)[C@@H](O)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-6-7-8-11-9-10(2)12(17)13(18)16(11)14(19)20-15(3,4)5/h10-12,17H,6-9H2,1-5H3/t10?,11?,12-/m1/s1
InChIKeyYYICBXXYWWYDER-HTAVTVPLSA-N
MW285.38 g/mol
LogP2.71
Rot. Bonds3

About tert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate

tert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate (PubChem CID 54533699) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate
PubChem CID54533699
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate
SMILESCCCCC1CC(C)[C@@H](O)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-6-7-8-11-9-10(2)12(17)13(18)16(11)14(19)20-15(3,4)5/h10-12,17H,6-9H2,1-5H3/t10?,11?,12-/m1/s1
InChIKeyYYICBXXYWWYDER-HTAVTVPLSA-N
XLogP2.71
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate 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 tert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate (CID 54533699) is tert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate is CCCCC1CC(C)[C@@H](O)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate?
The InChIKey is YYICBXXYWWYDER-HTAVTVPLSA-N. The full InChI is InChI=1S/C15H27NO4/c1-6-7-8-11-9-10(2)12(17)13(18)16(11)14(19)20-15(3,4)5/h10-12,17H,6-9H2,1-5H3/t10?,11?,12-/m1/s1.
What are the key properties of tert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate?
tert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-6-butyl-3-hydroxy-4-methyl-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 54533699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).