(E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide

C24H28N2O4 — CID 108566451

IUPAC(E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
SMILESCCOc1ccc(OCC(=O)N2CCC(NC(=O)/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C24H28N2O4/c1-2-29-21-9-11-22(12-10-21)30-18-24(28)26-16-14-20(15-17-26)25-23(27)13-8-19-6-4-3-5-7-19/h3-13,20H,2,14-18H2,1H3,(H,25,27)/b13-8+
InChIKeyBDRBGUDLIBDSOP-MDWZMJQESA-N
MW408.50 g/mol
LogP3.28
Rot. Bonds8

About (E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide

(E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide (PubChem CID 108566451) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
PubChem CID108566451
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
SMILESCCOc1ccc(OCC(=O)N2CCC(NC(=O)/C=C/c3ccccc3)CC2)cc1
InChIInChI=1S/C24H28N2O4/c1-2-29-21-9-11-22(12-10-21)30-18-24(28)26-16-14-20(15-17-26)25-23(27)13-8-19-6-4-3-5-7-19/h3-13,20H,2,14-18H2,1H3,(H,25,27)/b13-8+
InChIKeyBDRBGUDLIBDSOP-MDWZMJQESA-N
XLogP3.28
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108564948
2-(4-ethoxyphenoxy)-N-[1-(2-phenoxyacetyl)piperidin-4-yl]acetamide
CID 108556308
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-phenylacetamide
CID 108551305
(E)-N-(1-phenylpiperidin-4-yl)-3-(4-propoxyphenyl)prop-2-enamide
CID 75405131
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548748
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
(E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide
CID 82176955
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]naphthalene-1-carboxamide
CID 108554067
2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
CID 127179670
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108566444

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide (CID 108566451) is (E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide is CCOc1ccc(OCC(=O)N2CCC(NC(=O)/C=C/c3ccccc3)CC2)cc1.
What is the InChIKey of (E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide?
The InChIKey is BDRBGUDLIBDSOP-MDWZMJQESA-N. The full InChI is InChI=1S/C24H28N2O4/c1-2-29-21-9-11-22(12-10-21)30-18-24(28)26-16-14-20(15-17-26)25-23(27)13-8-19-6-4-3-5-7-19/h3-13,20H,2,14-18H2,1H3,(H,25,27)/b13-8+.
What are the key properties of (E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide?
(E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide has a molecular weight of 408.50 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 108566451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).