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

C9H15F3N2O3 — CID 70864620

IUPAC2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)CC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.C2HF3O2/c8-7(10)5-6-1-3-9-4-2-6;3-2(4,5)1(6)7/h6,9H,1-5H2,(H2,8,10);(H,6,7)
InChIKeyMUTUZGWTXSHXBL-UHFFFAOYSA-N
MW256.22 g/mol
LogP0.49
Rot. Bonds2

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

2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 70864620) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is 2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID70864620
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Name2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)CC1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H14N2O.C2HF3O2/c8-7(10)5-6-1-3-9-4-2-6;3-2(4,5)1(6)7/h6,9H,1-5H2,(H2,8,10);(H,6,7)
InChIKeyMUTUZGWTXSHXBL-UHFFFAOYSA-N
XLogP0.49
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid (CID 70864620) is 2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid is NC(=O)CC1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is MUTUZGWTXSHXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2HF3O2/c8-7(10)5-6-1-3-9-4-2-6;3-2(4,5)1(6)7/h6,9H,1-5H2,(H2,8,10);(H,6,7).
What are the key properties of 2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 256.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70864620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).