(E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide

C16H17F3N2O2 — CID 108563408

IUPAC(E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)15(23)21-10-8-13(9-11-21)20-14(22)7-6-12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,20,22)/b7-6+
InChIKeyVLTZFCZXJSJKIN-VOTSOKGWSA-N
MW326.32 g/mol
LogP2.37
Rot. Bonds3

About (E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide

(E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide (PubChem CID 108563408) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is (E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
PubChem CID108563408
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name(E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H17F3N2O2/c17-16(18,19)15(23)21-10-8-13(9-11-21)20-14(22)7-6-12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,20,22)/b7-6+
InChIKeyVLTZFCZXJSJKIN-VOTSOKGWSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
CID 127179670
(E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
CID 108933036
(E)-3-phenyl-1-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]prop-2-en-1-one
CID 108567613
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide
CID 75534696
(E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide
CID 108566021
(E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 46540248
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 71901761
N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide
CID 71901760
(E)-3-phenyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]prop-2-enamide
CID 17050019
(E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108566451
(E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108564948

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide (CID 108563408) is (E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide is O=C(/C=C/c1ccccc1)NC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of (E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide?
The InChIKey is VLTZFCZXJSJKIN-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H17F3N2O2/c17-16(18,19)15(23)21-10-8-13(9-11-21)20-14(22)7-6-12-4-2-1-3-5-12/h1-7,13H,8-11H2,(H,20,22)/b7-6+.
What are the key properties of (E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide?
(E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide has a molecular weight of 326.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 108563408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).