methyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate

C12H21NO4 — CID 129388862

IUPACmethyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate
SMILESCCOC(=O)CC[C@@H]1CC[C@H](C(=O)OC)CN1
InChIInChI=1S/C12H21NO4/c1-3-17-11(14)7-6-10-5-4-9(8-13-10)12(15)16-2/h9-10,13H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyUIIQYITZAOQOIK-UWVGGRQHSA-N
MW243.30 g/mol
LogP0.87
Rot. Bonds5

About methyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate

methyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate (PubChem CID 129388862) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate
PubChem CID129388862
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate
SMILESCCOC(=O)CC[C@@H]1CC[C@H](C(=O)OC)CN1
InChIInChI=1S/C12H21NO4/c1-3-17-11(14)7-6-10-5-4-9(8-13-10)12(15)16-2/h9-10,13H,3-8H2,1-2H3/t9-,10-/m0/s1
InChIKeyUIIQYITZAOQOIK-UWVGGRQHSA-N
XLogP0.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-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 (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate?
The IUPAC name of methyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate (CID 129388862) is methyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate?
The canonical SMILES for methyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate is CCOC(=O)CC[C@@H]1CC[C@H](C(=O)OC)CN1.
What is the InChIKey of methyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate?
The InChIKey is UIIQYITZAOQOIK-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-17-11(14)7-6-10-5-4-9(8-13-10)12(15)16-2/h9-10,13H,3-8H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of methyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate?
methyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,6S)-6-(3-ethoxy-3-oxopropyl)piperidine-3-carboxylate is sourced from PubChem (CID 129388862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).