1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid

C11H15F3N2O3 — CID 106216315

IUPAC1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)10(3-4-10)15-9(19)16-5-1-7(2-6-16)8(17)18/h7H,1-6H2,(H,15,19)(H,17,18)
InChIKeyIVJTTWAFLNHOAE-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.59
Rot. Bonds2

About 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid

1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 106216315) has the molecular formula C11H15F3N2O3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID106216315
Molecular FormulaC11H15F3N2O3
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NC2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C11H15F3N2O3/c12-11(13,14)10(3-4-10)15-9(19)16-5-1-7(2-6-16)8(17)18/h7H,1-6H2,(H,15,19)(H,17,18)
InChIKeyIVJTTWAFLNHOAE-UHFFFAOYSA-N
XLogP1.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid (CID 106216315) is 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NC2(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is IVJTTWAFLNHOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O3/c12-11(13,14)10(3-4-10)15-9(19)16-5-1-7(2-6-16)8(17)18/h7H,1-6H2,(H,15,19)(H,17,18).
What are the key properties of 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 280.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106216315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).