ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate

C16H19ClFNO3 — CID 2963116

IUPACethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C16H19ClFNO3/c1-2-22-16(21)11-5-4-8-19(10-11)15(20)9-12-13(17)6-3-7-14(12)18/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeyLKUFXEYHUPUOOX-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.82
Rot. Bonds4

About ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate

ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate (PubChem CID 2963116) has the molecular formula C16H19ClFNO3 and a molecular weight of 327.78 g/mol. Its IUPAC name is ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate
PubChem CID2963116
Molecular FormulaC16H19ClFNO3
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC Nameethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C16H19ClFNO3/c1-2-22-16(21)11-5-4-8-19(10-11)15(20)9-12-13(17)6-3-7-14(12)18/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeyLKUFXEYHUPUOOX-UHFFFAOYSA-N
XLogP2.82
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 16289650
Ethyl 1-(4-chlorobenzoyl)piperidine-3-carboxylate
CID 2905142
Ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 1094120
Ethyl 1-(2-chlorobenzyl)piperidine-3-carboxylate
CID 2838273
Ethyl 1-(2-chloro-6-fluorobenzyl)-3-piperidinecarboxylate
CID 2845955
Ethyl 1-(3-phenylpropanoyl)piperidine-3-carboxylate
CID 2905874
Ethyl 1-[(4-methylphenyl)acetyl]-3-piperidinecarboxylate
CID 2940373
Ethyl 1-[3-(4-chlorophenyl)acryloyl]-3-piperidinecarboxylate
CID 5737579
Ethyl 3-(3-chlorobenzyl)-1-(3-methoxypropanoyl)-3-piperidinecarboxylate
CID 16190508
4-(4-Chloro-phenyl)-1-(3-fluoro-propyl)-piperidine-3-carboxylic acid methyl ester
CID 44337768
2-(2-Chloro-6-fluorophenyl)-1-morpholin-4-ylethanone
CID 974102
Ethyl 3-(3-chlorobenzyl)-1-pent-4-enoylpiperidine-3-carboxylate
CID 23724063

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate (CID 2963116) is ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)Cc2c(F)cccc2Cl)C1.
What is the InChIKey of ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate?
The InChIKey is LKUFXEYHUPUOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO3/c1-2-22-16(21)11-5-4-8-19(10-11)15(20)9-12-13(17)6-3-7-14(12)18/h3,6-7,11H,2,4-5,8-10H2,1H3.
What are the key properties of ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate?
ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate has a molecular weight of 327.78 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 2963116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).