ethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

C13H18F2N2O5 — CID 3819612

IUPACethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1COC(=O)N1C1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C13H18F2N2O5/c1-2-21-12(19)9-7-22-13(20)17(9)8-3-5-16(6-4-8)11(18)10(14)15/h8-10H,2-7H2,1H3
InChIKeyWUAMZXIMTQZPLA-UHFFFAOYSA-N
MW320.29 g/mol
LogP0.63
Rot. Bonds4

About ethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate

ethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (PubChem CID 3819612) has the molecular formula C13H18F2N2O5 and a molecular weight of 320.29 g/mol. Its IUPAC name is ethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
PubChem CID3819612
Molecular FormulaC13H18F2N2O5
Molecular Weight320.29 g/mol
Exact Mass320.12
IUPAC Nameethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1COC(=O)N1C1CCN(C(=O)C(F)F)CC1
InChIInChI=1S/C13H18F2N2O5/c1-2-21-12(19)9-7-22-13(20)17(9)8-3-5-16(6-4-8)11(18)10(14)15/h8-10H,2-7H2,1H3
InChIKeyWUAMZXIMTQZPLA-UHFFFAOYSA-N
XLogP0.63
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.29
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate with MolForge

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Related Compounds

tert-butyl (4S)-4-(4,4-difluoropiperidine-1-carbonyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 25054427
(4S)-4-(4,4-difluoropiperidine-1-carbonyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylic acid
CID 68720729
Butyl 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 89708490
Ethyl 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 140430476
methyl (4S)-4-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 175539540
Methyl 4-[2-(4,4-difluoropiperidin-1-yl)ethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 175539541
Ethyl 3-(1-ethenoxycarbonylpiperidin-4-yl)-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3726554
Methyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3300387
Ethyl 2-oxo-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3682415
Methyl 2-oxo-3-[1-[2-[(2,2,2-trifluoroacetyl)amino]acetyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 3766968
Methyl 2-oxo-3-[1-[4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoyl]piperidin-4-yl]-1,3-oxazolidine-4-carboxylate
CID 5015332
methyl (2S,4S)-3-propanoyl-2-(trifluoromethyl)-1,3-oxazolidine-4-carboxylate
CID 46844710

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate (CID 3819612) is ethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is CCOC(=O)C1COC(=O)N1C1CCN(C(=O)C(F)F)CC1.
What is the InChIKey of ethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
The InChIKey is WUAMZXIMTQZPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O5/c1-2-21-12(19)9-7-22-13(20)17(9)8-3-5-16(6-4-8)11(18)10(14)15/h8-10H,2-7H2,1H3.
What are the key properties of ethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate?
ethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate has a molecular weight of 320.29 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(2,2-difluoroacetyl)piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 3819612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).