[(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone

C15H19FN2O3S — CID 164636583

IUPAC[(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@@](F)(C(=O)N2CCOCC2)C1
InChIInChI=1S/C15H19FN2O3S/c16-15(14(20)17-5-7-21-8-6-17)3-1-4-18(11-15)13(19)12-2-9-22-10-12/h2,9-10H,1,3-8,11H2/t15-/m0/s1
InChIKeyVJODQPDWLPFXIX-HNNXBMFYSA-N
MW326.39 g/mol
LogP1.55
Rot. Bonds2

About [(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone

[(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 164636583) has the molecular formula C15H19FN2O3S and a molecular weight of 326.39 g/mol. Its IUPAC name is [(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID164636583
Molecular FormulaC15H19FN2O3S
Molecular Weight326.39 g/mol
Exact Mass326.11
IUPAC Name[(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@@](F)(C(=O)N2CCOCC2)C1
InChIInChI=1S/C15H19FN2O3S/c16-15(14(20)17-5-7-21-8-6-17)3-1-4-18(11-15)13(19)12-2-9-22-10-12/h2,9-10H,1,3-8,11H2/t15-/m0/s1
InChIKeyVJODQPDWLPFXIX-HNNXBMFYSA-N
XLogP1.55
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 164636583) is [(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC[C@@](F)(C(=O)N2CCOCC2)C1.
What is the InChIKey of [(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is VJODQPDWLPFXIX-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H19FN2O3S/c16-15(14(20)17-5-7-21-8-6-17)3-1-4-18(11-15)13(19)12-2-9-22-10-12/h2,9-10H,1,3-8,11H2/t15-/m0/s1.
What are the key properties of [(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone?
[(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 326.39 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-fluoro-3-(morpholine-4-carbonyl)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 164636583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).