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

C10H15F3N2O3 — CID 63136128

IUPAC3-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-9(7(16)17)3-2-4-15(6-9)8(18)14-5-10(11,12)13/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyLIHYDVYCUJGDIR-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.45
Rot. Bonds2

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

3-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid (PubChem CID 63136128) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid
PubChem CID63136128
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name3-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C10H15F3N2O3/c1-9(7(16)17)3-2-4-15(6-9)8(18)14-5-10(11,12)13/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyLIHYDVYCUJGDIR-UHFFFAOYSA-N
XLogP1.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-((Propan-2-yl)carbamoyl)piperidine-3-carboxylic acid
CID 42952304
(2S)-2-[(6-azaspiro[2.5]octane-6-carbonylamino)methyl]-4,4-difluoropentanoic acid
CID 150587724
5,5-Difluoro-3-methylpiperidine-1,3-dicarboxylic acid
CID 174836214
1-(2,2,2-Trifluoroethylcarbamoyl)piperidine-3-carboxylic acid
CID 43135810
1-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
CID 55010133
1-[Methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
CID 60890649
1-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
CID 61607356
1-[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
CID 61607662
4-Propyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-4-carboxylic acid
CID 63126781
3-Methyl-1-(3,3,3-trifluoropropanoyl)piperidine-3-carboxylic acid
CID 63133576
3-Methyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxylic acid
CID 63134646
3-Methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
CID 63135629

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid (CID 63136128) is 3-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid?
The InChIKey is LIHYDVYCUJGDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-9(7(16)17)3-2-4-15(6-9)8(18)14-5-10(11,12)13/h2-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid?
3-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 63136128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).