4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid

C11H15F3N2O3 — CID 144585195

IUPAC4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N(C(=O)C(F)(F)F)C2CC2)CC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)9(17)16(7-1-2-7)8-3-5-15(6-4-8)10(18)19/h7-8H,1-6H2,(H,18,19)
InChIKeyMFZLLKZHZHPFSX-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.68
Rot. Bonds2

About 4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid

4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid (PubChem CID 144585195) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
PubChem CID144585195
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N(C(=O)C(F)(F)F)C2CC2)CC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)9(17)16(7-1-2-7)8-3-5-15(6-4-8)10(18)19/h7-8H,1-6H2,(H,18,19)
InChIKeyMFZLLKZHZHPFSX-UHFFFAOYSA-N
XLogP1.68
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid (CID 144585195) is 4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid is O=C(O)N1CCC(N(C(=O)C(F)(F)F)C2CC2)CC1.
What is the InChIKey of 4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The InChIKey is MFZLLKZHZHPFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)9(17)16(7-1-2-7)8-3-5-15(6-4-8)10(18)19/h7-8H,1-6H2,(H,18,19).
What are the key properties of 4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid has a molecular weight of 280.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 144585195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).