ethyl 4-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate

C19H23FN4O4 — CID 3241076

IUPACethyl 4-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2nc(-c3ccccc3F)no2)CC1
InChIInChI=1S/C19H23FN4O4/c1-2-27-19(26)24-11-9-13(10-12-24)21-16(25)7-8-17-22-18(23-28-17)14-5-3-4-6-15(14)20/h3-6,13H,2,7-12H2,1H3,(H,21,25)
InChIKeyNYPIRVMNGCDQDO-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.55
Rot. Bonds6

About ethyl 4-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate

ethyl 4-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate (PubChem CID 3241076) has the molecular formula C19H23FN4O4 and a molecular weight of 390.42 g/mol. Its IUPAC name is ethyl 4-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate
PubChem CID3241076
Molecular FormulaC19H23FN4O4
Molecular Weight390.42 g/mol
Exact Mass390.17
IUPAC Nameethyl 4-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CCc2nc(-c3ccccc3F)no2)CC1
InChIInChI=1S/C19H23FN4O4/c1-2-27-19(26)24-11-9-13(10-12-24)21-16(25)7-8-17-22-18(23-28-17)14-5-3-4-6-15(14)20/h3-6,13H,2,7-12H2,1H3,(H,21,25)
InChIKeyNYPIRVMNGCDQDO-UHFFFAOYSA-N
XLogP2.55
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate (CID 3241076) is ethyl 4-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CCc2nc(-c3ccccc3F)no2)CC1.
What is the InChIKey of ethyl 4-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate?
The InChIKey is NYPIRVMNGCDQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O4/c1-2-27-19(26)24-11-9-13(10-12-24)21-16(25)7-8-17-22-18(23-28-17)14-5-3-4-6-15(14)20/h3-6,13H,2,7-12H2,1H3,(H,21,25).
What are the key properties of ethyl 4-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate?
ethyl 4-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate has a molecular weight of 390.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 3241076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).