[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

C21H29FN2O4 — CID 31711308

IUPAC[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H29FN2O4/c1-21(2,3)20(27)24-12-9-16(10-13-24)19(26)28-14-18(25)23-11-8-15-4-6-17(22)7-5-15/h4-7,16H,8-14H2,1-3H3,(H,23,25)
InChIKeyXBFCEBHQASDBGE-UHFFFAOYSA-N
MW392.47 g/mol
LogP2.31
Rot. Bonds6

About [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate

[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (PubChem CID 31711308) has the molecular formula C21H29FN2O4 and a molecular weight of 392.47 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
PubChem CID31711308
Molecular FormulaC21H29FN2O4
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
SMILESCC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)NCCc2ccc(F)cc2)CC1
InChIInChI=1S/C21H29FN2O4/c1-21(2,3)20(27)24-12-9-16(10-13-24)19(26)28-14-18(25)23-11-8-15-4-6-17(22)7-5-15/h4-7,16H,8-14H2,1-3H3,(H,23,25)
InChIKeyXBFCEBHQASDBGE-UHFFFAOYSA-N
XLogP2.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate (CID 31711308) is [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is CC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)NCCc2ccc(F)cc2)CC1.
What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
The InChIKey is XBFCEBHQASDBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O4/c1-21(2,3)20(27)24-12-9-16(10-13-24)19(26)28-14-18(25)23-11-8-15-4-6-17(22)7-5-15/h4-7,16H,8-14H2,1-3H3,(H,23,25).
What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate?
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate has a molecular weight of 392.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 31711308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).