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

C8H11F3N2O3 — CID 167718059

IUPAC4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCNCC1)C(F)(F)F
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)5(14)13-7(6(15)16)1-3-12-4-2-7/h12H,1-4H2,(H,13,14)(H,15,16)
InChIKeyZDGFGZVGIJEFEM-UHFFFAOYSA-N
MW240.18 g/mol
LogP-0.13
Rot. Bonds2

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

4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid (PubChem CID 167718059) 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-4-carboxylic acid.

Molecular Properties

Compound Name4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid
PubChem CID167718059
Molecular FormulaC8H11F3N2O3
Molecular Weight240.18 g/mol
Exact Mass240.07
IUPAC Name4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCNCC1)C(F)(F)F
InChIInChI=1S/C8H11F3N2O3/c9-8(10,11)5(14)13-7(6(15)16)1-3-12-4-2-7/h12H,1-4H2,(H,13,14)(H,15,16)
InChIKeyZDGFGZVGIJEFEM-UHFFFAOYSA-N
XLogP-0.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2,2-trifluoroacetyl)amino]-6-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid
CID 167735183
2,2,2-trifluoro-N-[(4S,5S)-5-hydroxy-4-methylazepan-4-yl]acetamide
CID 89457900
1-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 80547816
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-4-carboxylic acid
CID 40630548
1-benzyl-4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid;hydrochloride
CID 71758384
4-(cyclopentylamino)piperidine-4-carboxylic acid
CID 61243380
4-(1,1-difluoroethyl)piperidine-4-carboxylic acid
CID 84772593
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
1-[[2-methyl-2-(methylamino)propanoyl]amino]cycloheptane-1-carboxylic acid
CID 62846183
N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide
CID 104701012
4-(hydroxymethyl)piperidin-4-ol;2,2,2-trifluoroacetic acid
CID 67270916
1-[(4-ethylpiperidine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161885

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid?
The IUPAC name of 4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid (CID 167718059) is 4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid?
The canonical SMILES for 4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid is O=C(NC1(C(=O)O)CCNCC1)C(F)(F)F.
What is the InChIKey of 4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid?
The InChIKey is ZDGFGZVGIJEFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3/c9-8(10,11)5(14)13-7(6(15)16)1-3-12-4-2-7/h12H,1-4H2,(H,13,14)(H,15,16).
What are the key properties of 4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid?
4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid has a molecular weight of 240.18 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,2-trifluoroacetyl)amino]piperidine-4-carboxylic acid is sourced from PubChem (CID 167718059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).