(E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

C21H21F3N2O — CID 7922480

IUPAC(E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H21F3N2O/c22-21(23,24)17-6-4-5-16(15-17)7-12-20(27)25-18-8-10-19(11-9-18)26-13-2-1-3-14-26/h4-12,15H,1-3,13-14H2,(H,25,27)/b12-7+
InChIKeyJRBJDKTXTPTZIR-KPKJPENVSA-N
MW374.41 g/mol
LogP5.35
Rot. Bonds4

About (E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide

(E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 7922480) has the molecular formula C21H21F3N2O and a molecular weight of 374.41 g/mol. Its IUPAC name is (E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID7922480
Molecular FormulaC21H21F3N2O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name(E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H21F3N2O/c22-21(23,24)17-6-4-5-16(15-17)7-12-20(27)25-18-8-10-19(11-9-18)26-13-2-1-3-14-26/h4-12,15H,1-3,13-14H2,(H,25,27)/b12-7+
InChIKeyJRBJDKTXTPTZIR-KPKJPENVSA-N
XLogP5.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.41
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 26752400
4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]benzoic acid
CID 13228845
N-(4-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 3903026
(E)-N-(4-propan-2-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7957085
(E)-N-(2,6-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 18808995
N-(4-nitrophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 2887493
N-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 74440295
1-[4-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]phenyl]pyrazole-3-carboxamide
CID 56508565
(E)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 24635343
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4798388
ethyl 4-[3-[3-(trifluoromethyl)phenyl]prop-2-enoylamino]benzoate
CID 3386200
N-(4-pyrrolidin-1-ylphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 37475260

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 7922480) is (E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of (E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is JRBJDKTXTPTZIR-KPKJPENVSA-N. The full InChI is InChI=1S/C21H21F3N2O/c22-21(23,24)17-6-4-5-16(15-17)7-12-20(27)25-18-8-10-19(11-9-18)26-13-2-1-3-14-26/h4-12,15H,1-3,13-14H2,(H,25,27)/b12-7+.
What are the key properties of (E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 374.41 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-piperidin-1-ylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 7922480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).