4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid

C7H11F3N2O3 — CID 57415893

IUPAC4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid
SMILESNC1CCNC(=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H10N2O.C2HF3O2/c6-4-1-2-7-5(8)3-4;3-2(4,5)1(6)7/h4H,1-3,6H2,(H,7,8);(H,6,7)
InChIKeyUKOAYNOFHRXZEE-UHFFFAOYSA-N
MW228.17 g/mol
LogP-0.14
Rot. Bonds

About 4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid

4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid (PubChem CID 57415893) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is 4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid
PubChem CID57415893
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid
SMILESNC1CCNC(=O)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H10N2O.C2HF3O2/c6-4-1-2-7-5(8)3-4;3-2(4,5)1(6)7/h4H,1-3,6H2,(H,7,8);(H,6,7)
InChIKeyUKOAYNOFHRXZEE-UHFFFAOYSA-N
XLogP-0.14
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(piperidin-4-yl)acetamide; trifluoroacetic acid
CID 14774639
(3S)-N-cyclohexylpiperidine-3-carboxamide trifluoroacetate
CID 66742803
N-Methyl-N-piperidin-4-yl-acetamide trifluoroacetate
CID 68475367
4-Aminopiperidine-2,6-dione 2,2,2-trifluoroacetate
CID 71434957
Piperidin-2-one;2,2,2-trifluoroacetic acid
CID 85437236
4-[(2,2,2-Trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 88546058
(4-Amino-2-oxopiperidin-1-yl) 2,2,2-trifluoroacetate
CID 92020416
[1-(3,3,3-Trifluoropropanoyl)piperidin-4-yl]carbamic acid
CID 118916118
N-ethyl-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 126511748
(R)-N-Methylpiperidine-3-carboxamide 2,2,2-trifluoroacetate
CID 131730620
N-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid
CID 155407878
Piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 157824276

Frequently Asked Questions

What is the IUPAC name of 4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid (CID 57415893) is 4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid is NC1CCNC(=O)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid?
The InChIKey is UKOAYNOFHRXZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C2HF3O2/c6-4-1-2-7-5(8)3-4;3-2(4,5)1(6)7/h4H,1-3,6H2,(H,7,8);(H,6,7).
What are the key properties of 4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid?
4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid has a molecular weight of 228.17 g/mol, XLogP of -0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopiperidin-2-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 57415893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).