methyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate

C13H21NO3 — CID 134859101

IUPACmethyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate
SMILESC=CCC[C@@H]1C(C)CN(C)C(=O)C1C(=O)OC
InChIInChI=1S/C13H21NO3/c1-5-6-7-10-9(2)8-14(3)12(15)11(10)13(16)17-4/h5,9-11H,1,6-8H2,2-4H3/t9?,10-,11?/m1/s1
InChIKeyZOFLGJXQVPUFTJ-HSOILSAZSA-N
MW239.31 g/mol
LogP1.47
Rot. Bonds4

About methyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate

methyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate (PubChem CID 134859101) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate
PubChem CID134859101
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate
SMILESC=CCC[C@@H]1C(C)CN(C)C(=O)C1C(=O)OC
InChIInChI=1S/C13H21NO3/c1-5-6-7-10-9(2)8-14(3)12(15)11(10)13(16)17-4/h5,9-11H,1,6-8H2,2-4H3/t9?,10-,11?/m1/s1
InChIKeyZOFLGJXQVPUFTJ-HSOILSAZSA-N
XLogP1.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-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 methyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate?
The IUPAC name of methyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate (CID 134859101) is methyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate.
What is the SMILES notation for methyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate?
The canonical SMILES for methyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate is C=CCC[C@@H]1C(C)CN(C)C(=O)C1C(=O)OC.
What is the InChIKey of methyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate?
The InChIKey is ZOFLGJXQVPUFTJ-HSOILSAZSA-N. The full InChI is InChI=1S/C13H21NO3/c1-5-6-7-10-9(2)8-14(3)12(15)11(10)13(16)17-4/h5,9-11H,1,6-8H2,2-4H3/t9?,10-,11?/m1/s1.
What are the key properties of methyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate?
methyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-but-3-enyl-1,5-dimethyl-2-oxopiperidine-3-carboxylate is sourced from PubChem (CID 134859101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).