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

C24H28N2O4 — CID 108564948

IUPAC(E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
SMILESCCOc1ccccc1OCC(=O)N1CCC(NC(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H28N2O4/c1-2-29-21-10-6-7-11-22(21)30-18-24(28)26-16-14-20(15-17-26)25-23(27)13-12-19-8-4-3-5-9-19/h3-13,20H,2,14-18H2,1H3,(H,25,27)/b13-12+
InChIKeyGKQXJUNLXPMVKA-OUKQBFOZSA-N
MW408.50 g/mol
LogP3.28
Rot. Bonds8

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

(E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide (PubChem CID 108564948) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
PubChem CID108564948
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
SMILESCCOc1ccccc1OCC(=O)N1CCC(NC(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C24H28N2O4/c1-2-29-21-10-6-7-11-22(21)30-18-24(28)26-16-14-20(15-17-26)25-23(27)13-12-19-8-4-3-5-9-19/h3-13,20H,2,14-18H2,1H3,(H,25,27)/b13-12+
InChIKeyGKQXJUNLXPMVKA-OUKQBFOZSA-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-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108566451
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555092
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548705
prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564964
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549679
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555351
tert-butyl N-[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919622
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550593
2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119163920
N-cyclopropyl-2-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 55408712
(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
CID 127179670
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108552532

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide (CID 108564948) is (E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide is CCOc1ccccc1OCC(=O)N1CCC(NC(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of (E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide?
The InChIKey is GKQXJUNLXPMVKA-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-2-29-21-10-6-7-11-22(21)30-18-24(28)26-16-14-20(15-17-26)25-23(27)13-12-19-8-4-3-5-9-19/h3-13,20H,2,14-18H2,1H3,(H,25,27)/b13-12+.
What are the key properties of (E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide?
(E)-N-[1-[2-(2-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-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 108564948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).