[2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate

C17H21FN2O4 — CID 55994207

IUPAC[2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CCCC(C(=O)OC(C(N)=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN2O4/c1-2-14(21)20-9-3-4-12(10-20)17(23)24-15(16(19)22)11-5-7-13(18)8-6-11/h5-8,12,15H,2-4,9-10H2,1H3,(H2,19,22)
InChIKeyRVILBZLHYLLWHE-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.54
Rot. Bonds5

About [2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate

[2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate (PubChem CID 55994207) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is [2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate.

Molecular Properties

Compound Name[2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
PubChem CID55994207
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name[2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
SMILESCCC(=O)N1CCCC(C(=O)OC(C(N)=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN2O4/c1-2-14(21)20-9-3-4-12(10-20)17(23)24-15(16(19)22)11-5-7-13(18)8-6-11/h5-8,12,15H,2-4,9-10H2,1H3,(H2,19,22)
InChIKeyRVILBZLHYLLWHE-UHFFFAOYSA-N
XLogP1.54
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate?
The IUPAC name of [2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate (CID 55994207) is [2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate.
What is the SMILES notation for [2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate?
The canonical SMILES for [2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate is CCC(=O)N1CCCC(C(=O)OC(C(N)=O)c2ccc(F)cc2)C1.
What is the InChIKey of [2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate?
The InChIKey is RVILBZLHYLLWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-2-14(21)20-9-3-4-12(10-20)17(23)24-15(16(19)22)11-5-7-13(18)8-6-11/h5-8,12,15H,2-4,9-10H2,1H3,(H2,19,22).
What are the key properties of [2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate?
[2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate has a molecular weight of 336.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-(4-fluorophenyl)-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate is sourced from PubChem (CID 55994207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).