N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C8H13F3N2O — CID 24701618

IUPACN-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)5-13-7(14)6-2-1-3-12-4-6/h6,12H,1-5H2,(H,13,14)
InChIKeyGAQLVMMYVDZFFL-UHFFFAOYSA-N
MW210.20 g/mol
LogP0.66
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 24701618) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID24701618
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC NameN-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCNC1
InChIInChI=1S/C8H13F3N2O/c9-8(10,11)5-13-7(14)6-2-1-3-12-4-6/h6,12H,1-5H2,(H,13,14)
InChIKeyGAQLVMMYVDZFFL-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 24701618) is N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCCNC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is GAQLVMMYVDZFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O/c9-8(10,11)5-13-7(14)6-2-1-3-12-4-6/h6,12H,1-5H2,(H,13,14).
What are the key properties of N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 210.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24701618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).