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

C19H21F3N2O2 — CID 46540248

IUPAC(E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H21F3N2O2/c20-19(21,22)15-6-1-13(2-7-15)3-8-17(25)23-16-9-11-24(12-10-16)18(26)14-4-5-14/h1-3,6-8,14,16H,4-5,9-12H2,(H,23,25)/b8-3+
InChIKeyZYSYLTIBABXDJH-FPYGCLRLSA-N
MW366.38 g/mol
LogP3.24
Rot. Bonds4

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

(E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 46540248) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is (E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID46540248
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name(E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H21F3N2O2/c20-19(21,22)15-6-1-13(2-7-15)3-8-17(25)23-16-9-11-24(12-10-16)18(26)14-4-5-14/h1-3,6-8,14,16H,4-5,9-12H2,(H,23,25)/b8-3+
InChIKeyZYSYLTIBABXDJH-FPYGCLRLSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide
CID 75534696
(E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
CID 108563408
N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 71901761
(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
CID 127179670
tert-butyl 4-[3-(4-fluorophenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868532
tert-butyl 4-[3-(4-methylphenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868527
(E)-3-(4-tert-butylphenyl)-N-cyclohexylprop-2-enamide
CID 1322783
(E)-3-(3-chloro-4-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]prop-2-enamide
CID 55708616
N-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 126780268
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-tert-butylphenyl)prop-2-enamide
CID 103597803
(E)-N-[1-[3,5-bis(trifluoromethyl)phenyl]piperidin-4-yl]-3-(3,5-difluorophenyl)prop-2-enamide
CID 87587208
(E)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]-3-phenylprop-2-enamide
CID 108566021

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 46540248) is (E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(C(F)(F)F)cc1)NC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of (E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is ZYSYLTIBABXDJH-FPYGCLRLSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c20-19(21,22)15-6-1-13(2-7-15)3-8-17(25)23-16-9-11-24(12-10-16)18(26)14-4-5-14/h1-3,6-8,14,16H,4-5,9-12H2,(H,23,25)/b8-3+.
What are the key properties of (E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 366.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 46540248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).