3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid

C12H19F3N2O3 — CID 63135670

IUPAC3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)N(C)CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c1-3-11(9(18)19)5-4-6-17(7-11)10(20)16(2)8-12(13,14)15/h3-8H2,1-2H3,(H,18,19)
InChIKeyHYQPHCZGGQOVLC-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.18
Rot. Bonds3

About 3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid

3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 63135670) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID63135670
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(C(=O)N(C)CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c1-3-11(9(18)19)5-4-6-17(7-11)10(20)16(2)8-12(13,14)15/h3-8H2,1-2H3,(H,18,19)
InChIKeyHYQPHCZGGQOVLC-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[cyclopropylmethyl(methyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 55164151
3-ethyl-1-[2-hydroxyethyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63149326
3-ethyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63136382
1-[methyl(2-methylsulfanylethyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 115986460
1-[butyl(cyclopropyl)carbamoyl]-3-ethylpiperidine-3-carboxylic acid
CID 63136624
1-[2-methoxyethyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63136210
3-ethyl-1-methoxycarbonylpiperidine-3-carboxylic acid
CID 63135585
(3R)-3-ethyl-1-(2-methylsulfanylacetyl)piperidine-3-carboxylic acid
CID 95017438
1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148145
1-[cyclopentyl(methyl)carbamoyl]-3-propylpiperidine-3-carboxylic acid
CID 63135923
3-ethyl-1-(4-methylpiperazine-1-carbonyl)piperidine-3-carboxylic acid
CID 63138089
1-(cyclopentylcarbamoyl)-3-ethylpiperidine-3-carboxylic acid
CID 55165112

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid (CID 63135670) is 3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(C(=O)N(C)CC(F)(F)F)C1.
What is the InChIKey of 3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is HYQPHCZGGQOVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-3-11(9(18)19)5-4-6-17(7-11)10(20)16(2)8-12(13,14)15/h3-8H2,1-2H3,(H,18,19).
What are the key properties of 3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid?
3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63135670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).