(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide

C23H28N2O — CID 14553493

IUPAC(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O/c26-23(12-11-20-7-3-1-4-8-20)24-16-13-21-14-17-25(18-15-21)19-22-9-5-2-6-10-22/h1-12,21H,13-19H2,(H,24,26)/b12-11+
InChIKeyIPNCANNCIDZOHY-VAWYXSNFSA-N
MW348.49 g/mol
LogP4.12
Rot. Bonds7

About (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide

(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide (PubChem CID 14553493) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide
PubChem CID14553493
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O/c26-23(12-11-20-7-3-1-4-8-20)24-16-13-21-14-17-25(18-15-21)19-22-9-5-2-6-10-22/h1-12,21H,13-19H2,(H,24,26)/b12-11+
InChIKeyIPNCANNCIDZOHY-VAWYXSNFSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide (CID 14553493) is (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)NCCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide?
The InChIKey is IPNCANNCIDZOHY-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H28N2O/c26-23(12-11-20-7-3-1-4-8-20)24-16-13-21-14-17-25(18-15-21)19-22-9-5-2-6-10-22/h1-12,21H,13-19H2,(H,24,26)/b12-11+.
What are the key properties of (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide has a molecular weight of 348.49 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 14553493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).