2-(prop-2-enylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone

C11H17F3N2O — CID 79278243

IUPAC2-(prop-2-enylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESC=CCNCC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O/c1-2-5-15-8-10(17)16-6-3-9(4-7-16)11(12,13)14/h2,9,15H,1,3-8H2
InChIKeyDPYJZKSTYAENHO-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.56
Rot. Bonds4

About 2-(prop-2-enylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone

2-(prop-2-enylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (PubChem CID 79278243) has the molecular formula C11H17F3N2O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-(prop-2-enylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(prop-2-enylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
PubChem CID79278243
Molecular FormulaC11H17F3N2O
Molecular Weight250.26 g/mol
Exact Mass250.13
IUPAC Name2-(prop-2-enylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
SMILESC=CCNCC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O/c1-2-5-15-8-10(17)16-6-3-9(4-7-16)11(12,13)14/h2,9,15H,1,3-8H2
InChIKeyDPYJZKSTYAENHO-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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Related Compounds

2-(4-(1,1-difluoroethyl)piperidin-1-yl)-N-methylacetamide
CID 92130809
2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
CID 18449289
N~1~-allyl-N~2~-(4-piperidinylmethyl)ethanediamide
CID 565272
N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 53515058
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 55167192
N-prop-2-enyl-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]acetamide
CID 60416257
2-[4-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492407
2-[(1-methylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61788745
2-[(1-ethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 61790854
N-prop-2-enyl-2-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]acetamide
CID 62492486
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63762298
2-[4-(propylaminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63847538

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(prop-2-enylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone (CID 79278243) is 2-(prop-2-enylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(prop-2-enylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(prop-2-enylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone is C=CCNCC(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(prop-2-enylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
The InChIKey is DPYJZKSTYAENHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O/c1-2-5-15-8-10(17)16-6-3-9(4-7-16)11(12,13)14/h2,9,15H,1,3-8H2.
What are the key properties of 2-(prop-2-enylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone?
2-(prop-2-enylamino)-1-[4-(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-[4-(trifluoromethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 79278243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).