2-(propan-2-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid

C17H21F3N2O3 — CID 69022858

IUPAC2-(propan-2-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid
SMILESCC(C)NC(=O)C1(c2ccccc2C(F)(F)F)CCCCN1C(=O)O
InChIInChI=1S/C17H21F3N2O3/c1-11(2)21-14(23)16(9-5-6-10-22(16)15(24)25)12-7-3-4-8-13(12)17(18,19)20/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyFNJUPTKNONKMQH-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.59
Rot. Bonds3

About 2-(propan-2-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid

2-(propan-2-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid (PubChem CID 69022858) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is 2-(propan-2-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(propan-2-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid
PubChem CID69022858
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC Name2-(propan-2-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid
SMILESCC(C)NC(=O)C1(c2ccccc2C(F)(F)F)CCCCN1C(=O)O
InChIInChI=1S/C17H21F3N2O3/c1-11(2)21-14(23)16(9-5-6-10-22(16)15(24)25)12-7-3-4-8-13(12)17(18,19)20/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyFNJUPTKNONKMQH-UHFFFAOYSA-N
XLogP3.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-(propan-2-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid (CID 69022858) is 2-(propan-2-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-(propan-2-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-(propan-2-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid is CC(C)NC(=O)C1(c2ccccc2C(F)(F)F)CCCCN1C(=O)O.
What is the InChIKey of 2-(propan-2-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid?
The InChIKey is FNJUPTKNONKMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-11(2)21-14(23)16(9-5-6-10-22(16)15(24)25)12-7-3-4-8-13(12)17(18,19)20/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 2-(propan-2-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid?
2-(propan-2-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid has a molecular weight of 358.36 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylcarbamoyl)-2-[2-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69022858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).