1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid

C10H15F3N2O3 — CID 43441481

IUPAC1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-8(16)5-15-3-1-7(2-4-15)9(17)18/h7H,1-6H2,(H,14,16)(H,17,18)
InChIKeyCPHOTADZXVITRY-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.46
Rot. Bonds4

About 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid

1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid (PubChem CID 43441481) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid
PubChem CID43441481
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid
SMILESO=C(CN1CCC(C(=O)O)CC1)NCC(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-8(16)5-15-3-1-7(2-4-15)9(17)18/h7H,1-6H2,(H,14,16)(H,17,18)
InChIKeyCPHOTADZXVITRY-UHFFFAOYSA-N
XLogP0.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid (CID 43441481) is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid is O=C(CN1CCC(C(=O)O)CC1)NCC(F)(F)F.
What is the InChIKey of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid?
The InChIKey is CPHOTADZXVITRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c11-10(12,13)6-14-8(16)5-15-3-1-7(2-4-15)9(17)18/h7H,1-6H2,(H,14,16)(H,17,18).
What are the key properties of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid?
1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43441481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).