(4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one

C11H17FN2O4 — CID 135291697

IUPAC(4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one
SMILESCCO[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1F
InChIInChI=1S/C11H17FN2O4/c1-2-17-9-3-4-14(5-7(9)12)10(15)8-6-18-11(16)13-8/h7-9H,2-6H2,1H3,(H,13,16)/t7-,8+,9+/m1/s1
InChIKeyJLSYVZFSAXAICH-VGMNWLOBSA-N
MW260.26 g/mol
LogP0.07
Rot. Bonds3

About (4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one

(4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 135291697) has the molecular formula C11H17FN2O4 and a molecular weight of 260.26 g/mol. Its IUPAC name is (4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one
PubChem CID135291697
Molecular FormulaC11H17FN2O4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name(4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one
SMILESCCO[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1F
InChIInChI=1S/C11H17FN2O4/c1-2-17-9-3-4-14(5-7(9)12)10(15)8-6-18-11(16)13-8/h7-9H,2-6H2,1H3,(H,13,16)/t7-,8+,9+/m1/s1
InChIKeyJLSYVZFSAXAICH-VGMNWLOBSA-N
XLogP0.07
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one (CID 135291697) is (4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one is CCO[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1F.
What is the InChIKey of (4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is JLSYVZFSAXAICH-VGMNWLOBSA-N. The full InChI is InChI=1S/C11H17FN2O4/c1-2-17-9-3-4-14(5-7(9)12)10(15)8-6-18-11(16)13-8/h7-9H,2-6H2,1H3,(H,13,16)/t7-,8+,9+/m1/s1.
What are the key properties of (4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one?
(4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 260.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135291697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).