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

C13H21F3N2O3 — CID 63127523

IUPAC1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O3/c1-2-3-12(11(20)21)4-6-18(7-5-12)8-10(19)17-9-13(14,15)16/h2-9H2,1H3,(H,17,19)(H,20,21)
InChIKeyKRQWHWGXEAAFBK-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.63
Rot. Bonds6

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

1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4-propylpiperidine-4-carboxylic acid (PubChem CID 63127523) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4-propylpiperidine-4-carboxylic acid
PubChem CID63127523
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O3/c1-2-3-12(11(20)21)4-6-18(7-5-12)8-10(19)17-9-13(14,15)16/h2-9H2,1H3,(H,17,19)(H,20,21)
InChIKeyKRQWHWGXEAAFBK-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.63
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]-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4-propylpiperidine-4-carboxylic acid (CID 63127523) is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4-propylpiperidine-4-carboxylic acid?
The InChIKey is KRQWHWGXEAAFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-2-3-12(11(20)21)4-6-18(7-5-12)8-10(19)17-9-13(14,15)16/h2-9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4-propylpiperidine-4-carboxylic acid?
1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-4-propylpiperidine-4-carboxylic acid has a molecular weight of 310.32 g/mol, XLogP of 1.63, 6 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]-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63127523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).