(4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one

C12H19FN2O4 — CID 135291715

IUPAC(4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
SMILESCC(C)O[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1F
InChIInChI=1S/C12H19FN2O4/c1-7(2)19-10-3-4-15(5-8(10)13)11(16)9-6-18-12(17)14-9/h7-10H,3-6H2,1-2H3,(H,14,17)/t8-,9+,10+/m1/s1
InChIKeyPZKNTPIVFNIXDT-UTLUCORTSA-N
MW274.29 g/mol
LogP0.46
Rot. Bonds3

About (4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one

(4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 135291715) has the molecular formula C12H19FN2O4 and a molecular weight of 274.29 g/mol. Its IUPAC name is (4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
PubChem CID135291715
Molecular FormulaC12H19FN2O4
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name(4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
SMILESCC(C)O[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1F
InChIInChI=1S/C12H19FN2O4/c1-7(2)19-10-3-4-15(5-8(10)13)11(16)9-6-18-12(17)14-9/h7-10H,3-6H2,1-2H3,(H,14,17)/t8-,9+,10+/m1/s1
InChIKeyPZKNTPIVFNIXDT-UTLUCORTSA-N
XLogP0.46
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-[[1-(2,2-difluoroethyl)piperidin-4-yl]carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 72131710
1-[(4S)-2-oxo-1,3-oxazolidine-4-carbonyl]-N-propylpiperidine-4-carboxamide
CID 164633323
(4S)-4-(4,4-difluoropiperidine-1-carbonyl)-1,3-oxazolidin-2-one
CID 25054432
(4,4-difluoropiperidin-1-yl)-[(4S)-2,2-dimethyl-1,3-oxazolidin-4-yl]methanone
CID 68719945
(4S)-4-(4,4-difluoropiperidine-1-carbonyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 68720729
tert-butyl N-[(2S,3R)-1-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 69351773
tert-butyl N-[(2S,3R)-1-[(2S,4S)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 69352818
(4S)-4-[(3R,4S)-3-fluoro-4-methoxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 121265392
(4S)-4-[(3R,4S)-4-ethoxy-3-fluoropiperidine-1-carbonyl]-1,3-oxazolidin-2-one
CID 135291697
Tert-butyl formate;(4,4-difluoropiperidin-1-yl)-(2,2-dimethyl-1,3-oxazolidin-4-yl)methanone
CID 175263316
tert-butyl N-[(2R)-1-[(2S,4R)-2-methyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 178126449
tert-butyl N-[(2R)-1-[(2R,3R)-2-methyl-3-(trifluoromethoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 178127737

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one (CID 135291715) is (4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one is CC(C)O[C@H]1CCN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1F.
What is the InChIKey of (4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is PZKNTPIVFNIXDT-UTLUCORTSA-N. The full InChI is InChI=1S/C12H19FN2O4/c1-7(2)19-10-3-4-15(5-8(10)13)11(16)9-6-18-12(17)14-9/h7-10H,3-6H2,1-2H3,(H,14,17)/t8-,9+,10+/m1/s1.
What are the key properties of (4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one?
(4S)-4-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 274.29 g/mol, XLogP of 0.46, 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)-3-fluoro-4-propan-2-yloxypiperidine-1-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135291715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).