piperidine-1-carboxamide;2,2,2-trifluoroacetic acid

C8H13F3N2O3 — CID 69078735

IUPACpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)N1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O.C2HF3O2/c7-6(9)8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-5H2,(H2,7,9);(H,6,7)
InChIKeyCSEBMYYYWQMHHT-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.18
Rot. Bonds

About piperidine-1-carboxamide;2,2,2-trifluoroacetic acid

piperidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 69078735) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is piperidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID69078735
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Namepiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)N1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C6H12N2O.C2HF3O2/c7-6(9)8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-5H2,(H2,7,9);(H,6,7)
InChIKeyCSEBMYYYWQMHHT-UHFFFAOYSA-N
XLogP1.18
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of piperidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 69078735) is piperidine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for piperidine-1-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)N1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CSEBMYYYWQMHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2HF3O2/c7-6(9)8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-5H2,(H2,7,9);(H,6,7).
What are the key properties of piperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
piperidine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 242.20 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69078735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).