(E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide

C23H28N2O2 — CID 75405131

IUPAC(E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)NC2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-2-18-27-22-11-8-19(9-12-22)10-13-23(26)24-20-14-16-25(17-15-20)21-6-4-3-5-7-21/h3-13,20H,2,14-18H2,1H3,(H,24,26)/b13-10+
InChIKeyGLXJQLHWGQNCDQ-JLHYYAGUSA-N
MW364.49 g/mol
LogP4.27
Rot. Bonds7

About (E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide

(E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide (PubChem CID 75405131) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide
PubChem CID75405131
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide
SMILESCCCOc1ccc(/C=C/C(=O)NC2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-2-18-27-22-11-8-19(9-12-22)10-13-23(26)24-20-14-16-25(17-15-20)21-6-4-3-5-7-21/h3-13,20H,2,14-18H2,1H3,(H,24,26)/b13-10+
InChIKeyGLXJQLHWGQNCDQ-JLHYYAGUSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.27
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

(E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108566451
(E)-N-(1-cyclopropylpiperidin-4-yl)-3-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]prop-2-enamide
CID 55553424
(E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide
CID 82176955
(E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide
CID 127217554
3-[4-(cyanomethoxy)phenyl]-N-(1-propylsulfonylpiperidin-4-yl)prop-2-enamide
CID 55706212
(E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108564948
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 75140869
[4-[[(E)-3-(4-octoxyphenyl)prop-2-enoyl]amino]cyclohexyl] 2-methylbutanoate
CID 168837448
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
N-tert-butyl-3-(4-propoxyphenyl)prop-2-enamide
CID 2791771
(E)-N-(1,1-dioxo-4-piperidin-1-ylthiolan-3-yl)-3-(4-propoxyphenyl)prop-2-enamide
CID 56522333

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide (CID 75405131) is (E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide is CCCOc1ccc(/C=C/C(=O)NC2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of (E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide?
The InChIKey is GLXJQLHWGQNCDQ-JLHYYAGUSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-18-27-22-11-8-19(9-12-22)10-13-23(26)24-20-14-16-25(17-15-20)21-6-4-3-5-7-21/h3-13,20H,2,14-18H2,1H3,(H,24,26)/b13-10+.
What are the key properties of (E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide?
(E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide has a molecular weight of 364.49 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide is sourced from PubChem (CID 75405131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).