N-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid

C10H17F3N2O3 — CID 175866368

IUPACN-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)C1CCCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-2-10-8(11)7-4-3-5-9-6-7;3-2(4,5)1(6)7/h7,9H,2-6H2,1H3,(H,10,11);(H,6,7)
InChIKeyKPRFOHDBYKXCNI-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.76
Rot. Bonds2

About N-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid

N-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175866368) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is N-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID175866368
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC NameN-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCNC(=O)C1CCCNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C8H16N2O.C2HF3O2/c1-2-10-8(11)7-4-3-5-9-6-7;3-2(4,5)1(6)7/h7,9H,2-6H2,1H3,(H,10,11);(H,6,7)
InChIKeyKPRFOHDBYKXCNI-UHFFFAOYSA-N
XLogP0.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 175866368) is N-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid is CCNC(=O)C1CCCNC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KPRFOHDBYKXCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.C2HF3O2/c1-2-10-8(11)7-4-3-5-9-6-7;3-2(4,5)1(6)7/h7,9H,2-6H2,1H3,(H,10,11);(H,6,7).
What are the key properties of N-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid?
N-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 270.25 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpiperidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175866368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).