3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C15H22N2O2S — CID 95761191

IUPAC3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CC[C@@H]1CCCO1)N1CCCC[C@@H]1c1nccs1
InChIInChI=1S/C15H22N2O2S/c18-14(7-6-12-4-3-10-19-12)17-9-2-1-5-13(17)15-16-8-11-20-15/h8,11-13H,1-7,9-10H2/t12-,13+/m0/s1
InChIKeyWUDFLQDFMZPEFV-QWHCGFSZSA-N
MW294.42 g/mol
LogP3.16
Rot. Bonds4

About 3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 95761191) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID95761191
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CC[C@@H]1CCCO1)N1CCCC[C@@H]1c1nccs1
InChIInChI=1S/C15H22N2O2S/c18-14(7-6-12-4-3-10-19-12)17-9-2-1-5-13(17)15-16-8-11-20-15/h8,11-13H,1-7,9-10H2/t12-,13+/m0/s1
InChIKeyWUDFLQDFMZPEFV-QWHCGFSZSA-N
XLogP3.16
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-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 3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 95761191) is 3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is O=C(CC[C@@H]1CCCO1)N1CCCC[C@@H]1c1nccs1.
What is the InChIKey of 3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is WUDFLQDFMZPEFV-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H22N2O2S/c18-14(7-6-12-4-3-10-19-12)17-9-2-1-5-13(17)15-16-8-11-20-15/h8,11-13H,1-7,9-10H2/t12-,13+/m0/s1.
What are the key properties of 3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 294.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-oxolan-2-yl]-1-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95761191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).