ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate

C17H23FN2O4 — CID 43875370

IUPACethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(CC)Oc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O4/c1-3-15(24-14-7-5-13(18)6-8-14)16(21)19-9-11-20(12-10-19)17(22)23-4-2/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyJLTQDBHLKZLNOH-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.28
Rot. Bonds5

About ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate

ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate (PubChem CID 43875370) has the molecular formula C17H23FN2O4 and a molecular weight of 338.38 g/mol. Its IUPAC name is ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate
PubChem CID43875370
Molecular FormulaC17H23FN2O4
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Nameethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C(CC)Oc2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O4/c1-3-15(24-14-7-5-13(18)6-8-14)16(21)19-9-11-20(12-10-19)17(22)23-4-2/h5-8,15H,3-4,9-12H2,1-2H3
InChIKeyJLTQDBHLKZLNOH-UHFFFAOYSA-N
XLogP2.28
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-2-(4-fluorophenoxy)butanoyl]piperazine-1-carbaldehyde
CID 93487859
ethyl 4-[(2R)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carboxylate
CID 92684270
(2S)-1-(4-benzhydrylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 99958556
(2R)-1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 30390452
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
(2S)-1-(3,3-dimethylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 92646146
(2S)-2-(4-fluorophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]butan-1-one
CID 28579047
(2R)-1-(4-benzylpiperidin-1-yl)-2-(4-fluorophenoxy)butan-1-one
CID 28567351
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
2-(3,4-dimethylphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 17250166
2-(4-methylphenoxy)-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 44782482
2-(4-chlorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 53286449

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate (CID 43875370) is ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C(CC)Oc2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate?
The InChIKey is JLTQDBHLKZLNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O4/c1-3-15(24-14-7-5-13(18)6-8-14)16(21)19-9-11-20(12-10-19)17(22)23-4-2/h5-8,15H,3-4,9-12H2,1-2H3.
What are the key properties of ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate has a molecular weight of 338.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-fluorophenoxy)butanoyl]piperazine-1-carboxylate is sourced from PubChem (CID 43875370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).