1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid

C9H13F3N2O3 — CID 43135810

IUPAC1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-8(17)14-3-1-2-6(4-14)7(15)16/h6H,1-5H2,(H,13,17)(H,15,16)
InChIKeyAMQQMDLUWHDCNT-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.05
Rot. Bonds2

About 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid

1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 43135810) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID43135810
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-8(17)14-3-1-2-6(4-14)7(15)16/h6H,1-5H2,(H,13,17)(H,15,16)
InChIKeyAMQQMDLUWHDCNT-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Dimethylcarbamoyl)piperidine-3-carboxylic acid
CID 3470698
1-Carbamoylpiperidine-3-carboxylic acid
CID 16226767
1-((Propan-2-yl)carbamoyl)piperidine-3-carboxylic acid
CID 42952304
1-(Cyclopentylcarbamoyl)piperidine-3-carboxylic acid
CID 43135693
5-Fluoro-4-(2-oxoimidazolidin-1-yl)piperidine-3-carboxylic acid
CID 122454002
(3S,5S)-5-(trifluoromethyl)piperidine-1,3-dicarboxylic acid
CID 123296371
(3S,5R)-5-(trifluoromethyl)piperidine-1,3-dicarboxylic acid
CID 123605883
(2S)-2-[(6-azaspiro[2.5]octane-6-carbonylamino)methyl]-4,4-difluoropentanoic acid
CID 150587724
1-(3,3,3-Trifluoropropanoyl)piperidine-3-carboxylic acid
CID 16770385
(3R)-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylic acid
CID 29893418
(3S)-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylic acid
CID 29893421
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-3-carboxylic acid
CID 43440792

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid (CID 43135810) is 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is AMQQMDLUWHDCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-8(17)14-3-1-2-6(4-14)7(15)16/h6H,1-5H2,(H,13,17)(H,15,16).
What are the key properties of 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid?
1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 254.21 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 43135810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).