ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate

C16H20F2N2O3 — CID 4818400

IUPACethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2N2O3/c1-2-23-16(22)11-5-7-20(8-6-11)10-15(21)19-14-4-3-12(17)9-13(14)18/h3-4,9,11H,2,5-8,10H2,1H3,(H,19,21)
InChIKeyIZOKKGWCKQFKHJ-UHFFFAOYSA-N
MW326.34 g/mol
LogP2.18
Rot. Bonds5

About ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 4818400) has the molecular formula C16H20F2N2O3 and a molecular weight of 326.34 g/mol. Its IUPAC name is ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
PubChem CID4818400
Molecular FormulaC16H20F2N2O3
Molecular Weight326.34 g/mol
Exact Mass326.14
IUPAC Nameethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)Nc2ccc(F)cc2F)CC1
InChIInChI=1S/C16H20F2N2O3/c1-2-23-16(22)11-5-7-20(8-6-11)10-15(21)19-14-4-3-12(17)9-13(14)18/h3-4,9,11H,2,5-8,10H2,1H3,(H,19,21)
InChIKeyIZOKKGWCKQFKHJ-UHFFFAOYSA-N
XLogP2.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731416
ethyl 1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818406
N-(2,4-difluorophenyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131519
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 17490744
ethyl 1-[2-[2-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 26629566
1-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531194
2-(4-aminopiperidin-1-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 79322871
ethyl 1-[2-(4-chloro-2-nitroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8931566
1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16792068
ethyl 1-[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8931532
ethyl 1-[2-[4-(butanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54837939
ethyl 1-[2-oxo-2-(2-prop-2-enoxyanilino)ethyl]piperidine-4-carboxylate
CID 54838112

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate (CID 4818400) is ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)Nc2ccc(F)cc2F)CC1.
What is the InChIKey of ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is IZOKKGWCKQFKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O3/c1-2-23-16(22)11-5-7-20(8-6-11)10-15(21)19-14-4-3-12(17)9-13(14)18/h3-4,9,11H,2,5-8,10H2,1H3,(H,19,21).
What are the key properties of ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 326.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 4818400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).