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

C17H19F3N2O3 — CID 108933036

IUPAC(E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C17H19F3N2O3/c1-25-14-5-3-2-4-12(14)6-7-15(23)21-13-8-10-22(11-9-13)16(24)17(18,19)20/h2-7,13H,8-11H2,1H3,(H,21,23)/b7-6+
InChIKeyMLRZJECXIYEYLU-VOTSOKGWSA-N
MW356.34 g/mol
LogP2.38
Rot. Bonds4

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

(E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide (PubChem CID 108933036) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
PubChem CID108933036
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name(E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C17H19F3N2O3/c1-25-14-5-3-2-4-12(14)6-7-15(23)21-13-8-10-22(11-9-13)16(24)17(18,19)20/h2-7,13H,8-11H2,1H3,(H,21,23)/b7-6+
InChIKeyMLRZJECXIYEYLU-VOTSOKGWSA-N
XLogP2.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542203
2,2,2-trifluoro-N-[1-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]acetamide
CID 108933035
(E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
CID 108563408
(E)-N-[1-(2-cyanoacetyl)piperidin-4-yl]-3-(2-methoxyphenyl)prop-2-enamide
CID 108922386
(Z)-3-(2-methoxyphenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]prop-2-enamide
CID 67915404
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-(2-nitrophenyl)prop-2-enamide
CID 76878728
3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108549268
(E)-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 104957085
(E)-N-(1-benzylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 26691379
(Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one
CID 23274353
3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108555310
2-(3,4-dimethoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108558717

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide (CID 108933036) is (E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide is COc1ccccc1/C=C/C(=O)NC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide?
The InChIKey is MLRZJECXIYEYLU-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c1-25-14-5-3-2-4-12(14)6-7-15(23)21-13-8-10-22(11-9-13)16(24)17(18,19)20/h2-7,13H,8-11H2,1H3,(H,21,23)/b7-6+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide has a molecular weight of 356.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 108933036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).