1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid

C13H19F3N2O3 — CID 63136781

IUPAC1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C13H19F3N2O3/c1-12(10(19)20)5-2-6-17(7-12)11(21)18(9-3-4-9)8-13(14,15)16/h9H,2-8H2,1H3,(H,19,20)
InChIKeyWKNSPMGTEMXDAT-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.32
Rot. Bonds3

About 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid

1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63136781) has the molecular formula C13H19F3N2O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63136781
Molecular FormulaC13H19F3N2O3
Molecular Weight308.30 g/mol
Exact Mass308.13
IUPAC Name1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C13H19F3N2O3/c1-12(10(19)20)5-2-6-17(7-12)11(21)18(9-3-4-9)8-13(14,15)16/h9H,2-8H2,1H3,(H,19,20)
InChIKeyWKNSPMGTEMXDAT-UHFFFAOYSA-N
XLogP2.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-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-[2-cyanoethyl(cyclopropyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136275
N-cyclopropyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 116655125
1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55165966
1-[cyclohexyl(ethyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145564
3-methyl-1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63147172
1-(dimethylcarbamoyl)-3-methylpiperidine-3-carboxylic acid
CID 63136050
3-methyl-1-[methyl(propyl)carbamoyl]piperidine-3-carboxylic acid
CID 63136057
1-[butyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149168
1-[2-cyanoethyl(cyclopropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147117
3-methyl-1-[methyl(pentan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 63135754
1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135703
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175456

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid (CID 63136781) is 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)N(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is WKNSPMGTEMXDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O3/c1-12(10(19)20)5-2-6-17(7-12)11(21)18(9-3-4-9)8-13(14,15)16/h9H,2-8H2,1H3,(H,19,20).
What are the key properties of 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid?
1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 308.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).