[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate

C17H18F4N2O4 — CID 55459377

IUPAC[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESO=C(COC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)NCC(F)(F)F
InChIInChI=1S/C17H18F4N2O4/c18-13-5-3-11(4-6-13)15(25)23-7-1-2-12(8-23)16(26)27-9-14(24)22-10-17(19,20)21/h3-6,12H,1-2,7-10H2,(H,22,24)
InChIKeyCREODJPZIMMTOU-UHFFFAOYSA-N
MW390.33 g/mol
LogP1.90
Rot. Bonds5

About [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate

[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate (PubChem CID 55459377) has the molecular formula C17H18F4N2O4 and a molecular weight of 390.33 g/mol. Its IUPAC name is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
PubChem CID55459377
Molecular FormulaC17H18F4N2O4
Molecular Weight390.33 g/mol
Exact Mass390.12
IUPAC Name[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESO=C(COC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)NCC(F)(F)F
InChIInChI=1S/C17H18F4N2O4/c18-13-5-3-11(4-6-13)15(25)23-7-1-2-12(8-23)16(26)27-9-14(24)22-10-17(19,20)21/h3-6,12H,1-2,7-10H2,(H,22,24)
InChIKeyCREODJPZIMMTOU-UHFFFAOYSA-N
XLogP1.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55459376
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46660896
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46660883
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55472289
ethyl 1-[2-[1-(4-fluorobenzoyl)piperidine-3-carbonyl]oxyacetyl]piperidine-2-carboxylate
CID 55473641
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739988
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55480342
ethyl 1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55345207
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-3-carboxylate
CID 51163987

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The IUPAC name of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate (CID 55459377) is [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate is O=C(COC(=O)C1CCCN(C(=O)c2ccc(F)cc2)C1)NCC(F)(F)F.
What is the InChIKey of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The InChIKey is CREODJPZIMMTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F4N2O4/c18-13-5-3-11(4-6-13)15(25)23-7-1-2-12(8-23)16(26)27-9-14(24)22-10-17(19,20)21/h3-6,12H,1-2,7-10H2,(H,22,24).
What are the key properties of [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate has a molecular weight of 390.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 55459377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).