4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid

C13H21F3N2O3 — CID 114425456

IUPAC4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N(CC(F)(F)F)C(C)C)C(C(=O)O)C1
InChIInChI=1S/C13H21F3N2O3/c1-8(2)18(7-13(14,15)16)12(21)17-5-4-9(3)6-10(17)11(19)20/h8-10H,4-7H2,1-3H3,(H,19,20)
InChIKeyUXFOZACDUDRFNL-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.56
Rot. Bonds3

About 4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid

4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 114425456) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is 4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID114425456
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Name4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N(CC(F)(F)F)C(C)C)C(C(=O)O)C1
InChIInChI=1S/C13H21F3N2O3/c1-8(2)18(7-13(14,15)16)12(21)17-5-4-9(3)6-10(17)11(19)20/h8-10H,4-7H2,1-3H3,(H,19,20)
InChIKeyUXFOZACDUDRFNL-UHFFFAOYSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid (CID 114425456) is 4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid is CC1CCN(C(=O)N(CC(F)(F)F)C(C)C)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is UXFOZACDUDRFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-8(2)18(7-13(14,15)16)12(21)17-5-4-9(3)6-10(17)11(19)20/h8-10H,4-7H2,1-3H3,(H,19,20).
What are the key properties of 4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid?
4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 310.32 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 114425456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).