2-(prop-2-enylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

C11H17F3N2O — CID 79285484

IUPAC2-(prop-2-enylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESC=CCNCC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c1-2-5-15-7-10(17)16-6-3-4-9(8-16)11(12,13)14/h2,9,15H,1,3-8H2
InChIKeyRHPPVPFZHFUYOI-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.56
Rot. Bonds4

About 2-(prop-2-enylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone

2-(prop-2-enylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 79285484) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(prop-2-enylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID79285484
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-(prop-2-enylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESC=CCNCC(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H17F3N2O/c1-2-5-15-7-10(17)16-6-3-4-9(8-16)11(12,13)14/h2,9,15H,1,3-8H2
InChIKeyRHPPVPFZHFUYOI-UHFFFAOYSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(prop-2-enylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone (CID 79285484) is 2-(prop-2-enylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(prop-2-enylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(prop-2-enylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is C=CCNCC(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-(prop-2-enylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is RHPPVPFZHFUYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-2-5-15-7-10(17)16-6-3-4-9(8-16)11(12,13)14/h2,9,15H,1,3-8H2.
What are the key properties of 2-(prop-2-enylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(prop-2-enylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone has a molecular weight of 250.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 79285484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).