N-cyclopropylpiperidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate

C11H17F3N2O3 — CID 86654896

IUPACN-cyclopropylpiperidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate
SMILESO=C(NC1CC1)C1CCC[NH2+]C1.O=C([O-])C(F)(F)F
InChIInChI=1S/C9H16N2O.C2HF3O2/c12-9(11-8-3-4-8)7-2-1-5-10-6-7;3-2(4,5)1(6)7/h7-8,10H,1-6H2,(H,11,12);(H,6,7)
InChIKeyXOGDBUJXDRQOEV-UHFFFAOYSA-N
MW282.26 g/mol
LogP-1.46
Rot. Bonds2

About N-cyclopropylpiperidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate

N-cyclopropylpiperidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate (PubChem CID 86654896) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is N-cyclopropylpiperidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate.

Molecular Properties

Compound NameN-cyclopropylpiperidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate
PubChem CID86654896
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC NameN-cyclopropylpiperidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate
SMILESO=C(NC1CC1)C1CCC[NH2+]C1.O=C([O-])C(F)(F)F
InChIInChI=1S/C9H16N2O.C2HF3O2/c12-9(11-8-3-4-8)7-2-1-5-10-6-7;3-2(4,5)1(6)7/h7-8,10H,1-6H2,(H,11,12);(H,6,7)
InChIKeyXOGDBUJXDRQOEV-UHFFFAOYSA-N
XLogP-1.46
TPSA85.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylpiperidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate?
The IUPAC name of N-cyclopropylpiperidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate (CID 86654896) is N-cyclopropylpiperidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate.
What is the SMILES notation for N-cyclopropylpiperidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate?
The canonical SMILES for N-cyclopropylpiperidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate is O=C(NC1CC1)C1CCC[NH2+]C1.O=C([O-])C(F)(F)F.
What is the InChIKey of N-cyclopropylpiperidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate?
The InChIKey is XOGDBUJXDRQOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C2HF3O2/c12-9(11-8-3-4-8)7-2-1-5-10-6-7;3-2(4,5)1(6)7/h7-8,10H,1-6H2,(H,11,12);(H,6,7).
What are the key properties of N-cyclopropylpiperidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate?
N-cyclopropylpiperidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate has a molecular weight of 282.26 g/mol, XLogP of -1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylpiperidin-1-ium-3-carboxamide;2,2,2-trifluoroacetate is sourced from PubChem (CID 86654896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).