2-piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid

C11H19F3N2O3 — CID 126522186

IUPAC2-piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid
SMILESCCC(C(N)=O)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-2-8(9(10)12)7-3-5-11-6-4-7;3-2(4,5)1(6)7/h7-8,11H,2-6H2,1H3,(H2,10,12);(H,6,7)
InChIKeyNWWXQMHIIQCADT-UHFFFAOYSA-N
MW284.28 g/mol
LogP1.13
Rot. Bonds3

About 2-piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid

2-piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid (PubChem CID 126522186) has the molecular formula C11H19F3N2O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 2-piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid
PubChem CID126522186
Molecular FormulaC11H19F3N2O3
Molecular Weight284.28 g/mol
Exact Mass284.13
IUPAC Name2-piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid
SMILESCCC(C(N)=O)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O.C2HF3O2/c1-2-8(9(10)12)7-3-5-11-6-4-7;3-2(4,5)1(6)7/h7-8,11H,2-6H2,1H3,(H2,10,12);(H,6,7)
InChIKeyNWWXQMHIIQCADT-UHFFFAOYSA-N
XLogP1.13
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid (CID 126522186) is 2-piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid is CCC(C(N)=O)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid?
The InChIKey is NWWXQMHIIQCADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C2HF3O2/c1-2-8(9(10)12)7-3-5-11-6-4-7;3-2(4,5)1(6)7/h7-8,11H,2-6H2,1H3,(H2,10,12);(H,6,7).
What are the key properties of 2-piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid?
2-piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid has a molecular weight of 284.28 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylbutanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 126522186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).