4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid

C11H17F3N2O3 — CID 63126792

IUPAC4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-2-10(8(17)18)3-5-16(6-4-10)9(19)15-7-11(12,13)14/h2-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyOLVJOUZXXYETLB-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.84
Rot. Bonds3

About 4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid

4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid (PubChem CID 63126792) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid
PubChem CID63126792
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-2-10(8(17)18)3-5-16(6-4-10)9(19)15-7-11(12,13)14/h2-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyOLVJOUZXXYETLB-UHFFFAOYSA-N
XLogP1.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Propan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 28512923
1-(Methylcarbamoyl)piperidine-4-carboxylic acid
CID 43135697
1-(3-Methylbutylcarbamoyl)piperidine-4-carboxylic acid
CID 28513136
N-methyl-2,7-diazaspiro[3.5]nonane-7-carboxamide;2,2,2-trifluoroacetic acid
CID 146586371
(2S)-2-[(6-azaspiro[2.5]octane-6-carbonylamino)methyl]-4,4-difluoropentanoic acid
CID 150587724
N,N-dimethyl-2,7-diazaspiro[3.5]nonane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 175843885
1-(Butylcarbamoyl)piperidine-4-carboxylic acid
CID 16228478
1-(2,2,2-Trifluoroethylcarbamoyl)piperidine-4-carboxylic acid
CID 43135809
1-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
CID 55010134
1-(3,3,3-Trifluoropropylcarbamoyl)piperidine-4-carboxylic acid
CID 55175146
1-[Methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
CID 60890650
1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-4-carboxylic acid
CID 61607357

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid (CID 63126792) is 4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid?
The InChIKey is OLVJOUZXXYETLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-10(8(17)18)3-5-16(6-4-10)9(19)15-7-11(12,13)14/h2-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid?
4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63126792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).