2-piperidin-1-ylbenzamide;2,2,2-trifluoroacetic acid

C14H17F3N2O3 — CID 69312853

IUPAC2-piperidin-1-ylbenzamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1ccccc1N1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H16N2O.C2HF3O2/c13-12(15)10-6-2-3-7-11(10)14-8-4-1-5-9-14;3-2(4,5)1(6)7/h2-3,6-7H,1,4-5,8-9H2,(H2,13,15);(H,6,7)
InChIKeyIZPJYLKJAJJYGY-UHFFFAOYSA-N
MW318.29 g/mol
LogP2.41
Rot. Bonds2

About 2-piperidin-1-ylbenzamide;2,2,2-trifluoroacetic acid

2-piperidin-1-ylbenzamide;2,2,2-trifluoroacetic acid (PubChem CID 69312853) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is 2-piperidin-1-ylbenzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-piperidin-1-ylbenzamide;2,2,2-trifluoroacetic acid
PubChem CID69312853
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC Name2-piperidin-1-ylbenzamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1ccccc1N1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H16N2O.C2HF3O2/c13-12(15)10-6-2-3-7-11(10)14-8-4-1-5-9-14;3-2(4,5)1(6)7/h2-3,6-7H,1,4-5,8-9H2,(H2,13,15);(H,6,7)
InChIKeyIZPJYLKJAJJYGY-UHFFFAOYSA-N
XLogP2.41
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylbenzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-piperidin-1-ylbenzamide;2,2,2-trifluoroacetic acid (CID 69312853) is 2-piperidin-1-ylbenzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-piperidin-1-ylbenzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-piperidin-1-ylbenzamide;2,2,2-trifluoroacetic acid is NC(=O)c1ccccc1N1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-piperidin-1-ylbenzamide;2,2,2-trifluoroacetic acid?
The InChIKey is IZPJYLKJAJJYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O.C2HF3O2/c13-12(15)10-6-2-3-7-11(10)14-8-4-1-5-9-14;3-2(4,5)1(6)7/h2-3,6-7H,1,4-5,8-9H2,(H2,13,15);(H,6,7).
What are the key properties of 2-piperidin-1-ylbenzamide;2,2,2-trifluoroacetic acid?
2-piperidin-1-ylbenzamide;2,2,2-trifluoroacetic acid has a molecular weight of 318.29 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylbenzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69312853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).