methyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate

C14H21NO3 — CID 46188811

IUPACmethyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate
SMILESCOC(=O)CC[C@@H]1N[C@H](c2ccoc2)CC[C@H]1C
InChIInChI=1S/C14H21NO3/c1-10-3-4-13(11-7-8-18-9-11)15-12(10)5-6-14(16)17-2/h7-10,12-13,15H,3-6H2,1-2H3/t10-,12+,13+/m1/s1
InChIKeyKFLASCRCMOIUQQ-WXHSDQCUSA-N
MW251.33 g/mol
LogP2.66
Rot. Bonds4

About methyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate

methyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate (PubChem CID 46188811) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate
PubChem CID46188811
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate
SMILESCOC(=O)CC[C@@H]1N[C@H](c2ccoc2)CC[C@H]1C
InChIInChI=1S/C14H21NO3/c1-10-3-4-13(11-7-8-18-9-11)15-12(10)5-6-14(16)17-2/h7-10,12-13,15H,3-6H2,1-2H3/t10-,12+,13+/m1/s1
InChIKeyKFLASCRCMOIUQQ-WXHSDQCUSA-N
XLogP2.66
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate 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 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate?
The IUPAC name of methyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate (CID 46188811) is methyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate.
What is the SMILES notation for methyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate?
The canonical SMILES for methyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate is COC(=O)CC[C@@H]1N[C@H](c2ccoc2)CC[C@H]1C.
What is the InChIKey of methyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate?
The InChIKey is KFLASCRCMOIUQQ-WXHSDQCUSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-3-4-13(11-7-8-18-9-11)15-12(10)5-6-14(16)17-2/h7-10,12-13,15H,3-6H2,1-2H3/t10-,12+,13+/m1/s1.
What are the key properties of methyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate?
methyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate has a molecular weight of 251.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2S,3R,6S)-6-(furan-3-yl)-3-methylpiperidin-2-yl]propanoate is sourced from PubChem (CID 46188811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).