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

C8H11F3N2O3 — CID 88546058

IUPAC4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)6(14)12-5-1-3-13(4-2-5)7(15)16/h5H,1-4H2,(H,12,14)(H,15,16)
InChIKeySGVLSLXGPVUQCO-UHFFFAOYSA-N
MW240.18 g/mol
LogP0.81
Rot. Bonds1

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

4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid (PubChem CID 88546058) has the molecular formula C8H11F3N2O3 and a molecular weight of 240.18 g/mol. Its IUPAC name is 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
PubChem CID88546058
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)6(14)12-5-1-3-13(4-2-5)7(15)16/h5H,1-4H2,(H,12,14)(H,15,16)
InChIKeySGVLSLXGPVUQCO-UHFFFAOYSA-N
XLogP0.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carboxylic acid
CID 87679206
2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108548655
3-[3-[(2,2,2-trifluoroacetyl)amino]pyrrolidine-1-carbonyl]cyclopropane-1,2-dicarboxylic acid
CID 87189133
2,2,2-trifluoro-N-[(3R)-1-[(3S)-3-(methylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 58651055
4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 14788218
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108548737
N-[1-[(E)-3-cyclopentylbut-2-enoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108933089
2,2,2-trifluoro-N-[1-(2-iodobenzoyl)piperidin-4-yl]acetamide
CID 108548674
4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid
CID 91321948
N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 90438031
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108548760

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid (CID 88546058) is 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid is O=C(O)N1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
The InChIKey is SGVLSLXGPVUQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c9-8(10,11)6(14)12-5-1-3-13(4-2-5)7(15)16/h5H,1-4H2,(H,12,14)(H,15,16).
What are the key properties of 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid?
4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid has a molecular weight of 240.18 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 88546058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).