(E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide

C17H23FN2O — CID 106626270

IUPAC(E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
SMILESCCN(CC1CCCCN1)C(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O/c1-2-20(13-16-5-3-4-12-19-16)17(21)11-8-14-6-9-15(18)10-7-14/h6-11,16,19H,2-5,12-13H2,1H3/b11-8+
InChIKeyHWXYXOLXHZEHOG-DHZHZOJOSA-N
MW290.38 g/mol
LogP2.83
Rot. Bonds5

About (E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide

(E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide (PubChem CID 106626270) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is (E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
PubChem CID106626270
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name(E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
SMILESCCN(CC1CCCCN1)C(=O)/C=C/c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O/c1-2-20(13-16-5-3-4-12-19-16)17(21)11-8-14-6-9-15(18)10-7-14/h6-11,16,19H,2-5,12-13H2,1H3/b11-8+
InChIKeyHWXYXOLXHZEHOG-DHZHZOJOSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)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

(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609156
N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79700451
N-ethyl-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3350679
(E)-3-(4-chlorophenyl)-N-methyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106627267
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
N-ethyl-2,6-difluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626235
3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 76922751
(E)-N-cyclopropyl-3-phenyl-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626913
N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626297
(E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106611607
(E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 78858681
(E)-3-phenyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609856

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide (CID 106626270) is (E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide is CCN(CC1CCCCN1)C(=O)/C=C/c1ccc(F)cc1.
What is the InChIKey of (E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide?
The InChIKey is HWXYXOLXHZEHOG-DHZHZOJOSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-2-20(13-16-5-3-4-12-19-16)17(21)11-8-14-6-9-15(18)10-7-14/h6-11,16,19H,2-5,12-13H2,1H3/b11-8+.
What are the key properties of (E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide?
(E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide has a molecular weight of 290.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 106626270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).